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

Systemtic Name: [2-[(E)-2-cyano-3-[(4-methoxy-2-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-2-sulfonate Openeye Name: [2-[(E)-2-cyano-3-(4-methoxy-2-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [2-[(E)-2-cyano-3-(4-methoxy-2-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-2-cyano-3-(4-methoxy-2-nitroanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [2-[(E)-2-cyano-3-keto-3-(4-methoxy-2-nitro-anilino)prop-1-enyl]phenyl] ester Formula: C27H19N3O7S MolecularWeight: 529.52066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)/C#N)[N+](=O)[O-]

InChI

InChI=1S/C27H19N3O7S/c1-36-22-11-13-24(25(16-22)30(32)33)29-27(31)21(17-28)14-20-8-4-5-9-26(20)37-38(34,35)23-12-10-18-6-2-3-7-19(18)15-23/h2-16H,1H3,(H,29,31)/b21-14+