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

Systemtic Name: [1-[(E)-2-cyano-3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]naphthalen-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-[(E)-2-cyano-3-(2-methoxy-5-nitro-anilino)-3-oxo-prop-1-enyl]-2-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(E)-2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-enyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-enyl]naphthalen-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[(E)-2-cyano-3-keto-3-(2-methoxy-5-nitro-anilino)prop-1-enyl]-2-naphthyl] ester Formula: C28H21N3O7S MolecularWeight: 543.54724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)C=C(C#N)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)/C=C(\C#N)/C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C28H21N3O7S/c1-18-7-11-22(12-8-18)39(35,36)38-26-13-9-19-5-3-4-6-23(19)24(26)15-20(17-29)28(32)30-25-16-21(31(33)34)10-14-27(25)37-2/h3-16H,1-2H3,(H,30,32)/b20-15+