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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H13N3O7 MolecularWeight: 407.33312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)O

InChI

InChI=1S/C20H13N3O7/c21-9-11-7-12(23(28)29)5-6-16(11)22-18(25)10-30-20(27)15-8-17(24)13-3-1-2-4-14(13)19(15)26/h1-8,24,26H,10H2,(H,22,25)