[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranylbenzoate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranylbenzoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C16H13ClN2O5 MolecularWeight: 348.73782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O5/c1-10(24-16(21)11-6-8-12(17)9-7-11)15(20)18-13-4-2-3-5-14(13)19(22)23/h2-10H,1H3,(H,18,20)/t10-/m0/s1