[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methoxy-benzoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methoxy-benzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxybenzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-benzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C17H15ClN2O6 MolecularWeight: 378.7638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C17H15ClN2O6/c1-10(16(21)19-12-4-6-13(7-5-12)20(23)24)26-17(22)14-9-11(18)3-8-15(14)25-2/h3-10H,1-2H3,(H,19,21)