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

Systemtic Name: [1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloroanilino)-1-oxopropan-2-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H12Cl2N2O5 MolecularWeight: 383.18288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12Cl2N2O5/c1-9(15(21)19-13-5-3-2-4-11(13)17)25-16(22)10-6-7-12(18)14(8-10)20(23)24/h2-9H,1H3,(H,19,21)