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Reference substances

IUPAC name:
3-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile

Inventory

EC number:
250-654-8
EC name:
3-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
CAS number:
31482-56-1
CAS number:
31482-56-1
Synonyms
Names:
Propanenitrile, 3- ethyl 4- (4-nitrophenyl)azo phenyl amino -
Propanenitrile, 3-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]-
Identifier:
CAS number
31482-56-1
Identifier:
EC name
3-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
Identifier:
EC number
250-654-8
Identifier:
IUPAC name
3-(ethyl{4-[(4-nitrophenyl)diazenyl]phenyl}amino)propanenitrile
Identifier:
IUPAC name
3-[Ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
Identifier:
IUPAC name
3-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
Identifier:
Colour Index
Solvent Orange 105
Identifier:
other: SMILES notation
CCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
Identifier:
other: InChl
InChI=1/C17H17N5O2/c1-2-21(13-3-12-18)16-8-4-14(5-9-16)19-20-15-6-10-17(11-7-15)22(23)24/h4-11H,2-3,13H2,1H3
Identifier:
other: InChl
InChI=1S/C17H17N5O2/c1-2-21(13-3-12-18)16-8-4-14(5-9-16)19-20-15-6-10-17(11-7-15)22(23)24/h4-11H,2-3,13H2,1H3
Identifier:
other: SMILES notation
[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CCC#N)cc2
3-[Ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile

Molecular and structural information

Molecular formula:
C17H17N5O2
Molecular weight:
323.36
SMILES notation:
N(=O)(=O)c(ccc(N=Nc(ccc(N(CCC(#N))CC)c1)c1)c2)c2
InChl:
InChI=1S/C17H17N5O2/c1-2-21(13-3-12-18)16-8-4-14(5-9-16)19-20-15-6-10-17(11-7-15)22(23)24/h4-11H,2-3,13H2
Structural formula:
Chemical structure

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