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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C16H12ClN3O7 MolecularWeight: 393.73538

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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=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O7/c1-9(15(21)18-11-3-5-12(6-4-11)19(23)24)27-16(22)13-7-2-10(17)8-14(13)20(25)26/h2-9H,1H3,(H,18,21)