[1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-1-methyl-2-(p-anisidino)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)OC)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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