[(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c1-11(21)13-7-3-5-9-15(13)19-17(22)12(2)26-18(23)14-8-4-6-10-16(14)20(24)25/h3-10,12H,1-2H3,(H,19,22)/t12-/m0/s1