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

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6/c1-11(15(21)19-17(23)18-12-7-3-2-4-8-12)26-16(22)13-9-5-6-10-14(13)20(24)25/h2-11H,1H3,(H2,18,19,21,23)/t11-/m0/s1