[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C22H16N2O6 MolecularWeight: 404.37224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O6/c25-20(23-14-6-5-7-15(12-14)24(27)28)13-29-22(26)21-16-8-1-3-10-18(16)30-19-11-4-2-9-17(19)21/h1-12,21H,13H2,(H,23,25)