[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-11(25-17(22)15(20)12-7-3-2-4-8-12)16(21)18-13-9-5-6-10-14(13)19(23)24/h2-11,15,20H,1H3,(H,18,21)/t11-,15+/m1/s1