1-[[4-[(2,6-dicyano-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]amino]hexyl ethanoate

Systemtic Name: 1-[[4-[(2,6-dicyano-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]amino]hexyl ethanoate Openeye Name: 1-[4-(2,6-dicyano-4-nitro-phenyl)azo-3-methyl-anilino]hexyl acetate CAS Name: acetic acid 1-[4-(2,6-dicyano-4-nitrophenyl)azo-3-methylanilino]hexyl ester IUPAC Name: 1-[4-[(2,6-dicyano-4-nitrophenyl)diazenyl]-3-methylanilino]hexyl acetate Traditional Name: acetic acid 1-[4-(2,6-dicyano-4-nitro-phenyl)azo-3-methyl-anilino]hexyl ester Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(NC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)C)OC(=O)C

Isomeric SMILES

CCCCCC(NC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)C)OC(=O)C

InChI

InChI=1S/C23H24N6O4/c1-4-5-6-7-22(33-16(3)30)26-19-8-9-21(15(2)10-19)27-28-23-17(13-24)11-20(29(31)32)12-18(23)14-25/h8-12,22,26H,4-7H2,1-3H3