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

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O6/c1-10(22)12-3-6-14(7-4-12)20-17(23)11(2)27-18(24)15-8-5-13(19)9-16(15)21(25)26/h3-9,11H,1-2H3,(H,20,23)