[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C20H16N2O8 MolecularWeight: 412.34964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

InChI

InChI=1S/C20H16N2O8/c1-29-17-7-6-11(22(27)28)8-15(17)21-18(24)10-30-20(26)14-9-16(23)12-4-2-3-5-13(12)19(14)25/h2-9,23,25H,10H2,1H3,(H,21,24)