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

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C16H13FN2O5 MolecularWeight: 332.283223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C16H13FN2O5/c1-10-2-3-11(8-14(10)17)16(21)24-9-15(20)18-12-4-6-13(7-5-12)19(22)23/h2-8H,9H2,1H3,(H,18,20)