[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C16H13FN2O6 MolecularWeight: 348.282623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C16H13FN2O6/c1-24-14-7-2-10(8-13(14)17)16(21)25-9-15(20)18-11-3-5-12(6-4-11)19(22)23/h2-8H,9H2,1H3,(H,18,20)