[4-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-cyano-3-keto-3-(4-nitroanilino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H19N3O7S MolecularWeight: 493.48856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H19N3O7S/c1-16-3-10-21(11-4-16)35(31,32)34-22-12-5-17(14-23(22)33-2)13-18(15-25)24(28)26-19-6-8-20(9-7-19)27(29)30/h3-14H,1-2H3,(H,26,28)/b18-13+