[2-[(E)-2-cyano-3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[(E)-2-cyano-3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[(E)-2-cyano-3-(2-methoxy-5-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[(E)-2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[(E)-2-cyano-3-keto-3-(2-methoxy-5-nitro-anilino)prop-1-enyl]phenyl] ester Formula: C25H20N4O8S MolecularWeight: 536.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C(C#N)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C25H20N4O8S/c1-16(30)27-19-7-10-21(11-8-19)38(34,35)37-23-6-4-3-5-17(23)13-18(15-26)25(31)28-22-14-20(29(32)33)9-12-24(22)36-2/h3-14H,1-2H3,(H,27,30)(H,28,31)/b18-13+