[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O5/c1-11(16(18)21)25-17(22)14-9-13(20(23)24)7-8-15(14)19-10-12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3,(H2,18,21)/t11-/m1/s1