[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C16H14ClN3O5 MolecularWeight: 363.75246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O5/c1-9(25-16(22)13-6-5-10(17)7-14(13)18)15(21)19-11-3-2-4-12(8-11)20(23)24/h2-9H,18H2,1H3,(H,19,21)