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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-methoxy-2-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-2-sulfonate Openeye Name: [4-[(E)-2-cyano-3-(4-methoxy-2-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [4-[(E)-2-cyano-3-(4-methoxy-2-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-methoxy-2-nitroanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-[(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=C(C=C2)OS(=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=C(C=C2)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)/C#N)[N+](=O)[O-]

InChI

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