[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxynaphthalene-1-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxynaphthalene-1-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 4-methoxynaphthalene-1-carboxylate CAS Name: 4-methoxy-1-naphthalenecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate Traditional Name: 4-methoxynaphthalene-1-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H15N3O6/c1-29-19-9-7-17(15-4-2-3-5-16(15)19)21(26)30-12-20(25)23-18-8-6-14(24(27)28)10-13(18)11-22/h2-10H,12H2,1H3,(H,23,25)