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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C23H24N6O4/c1-4-5-8-28(9-10-33-17(3)30)20-6-7-22(16(2)11-20)26-27-23-18(14-24)12-21(29(31)32)13-19(23)15-25/h6-7,11-13H,4-5,8-10H2,1-3H3