[2-[(E)-2-cyano-3-[(4-methyl-2-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[(E)-2-cyano-3-[(4-methyl-2-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[(E)-2-cyano-3-(4-methyl-2-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[(E)-2-cyano-3-(4-methyl-2-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-2-cyano-3-(4-methyl-2-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[(E)-2-cyano-3-keto-3-(4-methyl-2-nitro-anilino)prop-1-enyl]phenyl] ester Formula: C25H20N4O7S MolecularWeight: 520.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)/C#N)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O7S/c1-16-7-12-22(23(13-16)29(32)33)28-25(31)19(15-26)14-18-5-3-4-6-24(18)36-37(34,35)21-10-8-20(9-11-21)27-17(2)30/h3-14H,1-2H3,(H,27,30)(H,28,31)/b19-14+