[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1S)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic acid [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid [(1S)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-11(27-18(23)16(21)12-6-4-3-5-7-12)17(22)19-14-9-8-13(20(24)25)10-15(14)26-2/h3-11,16,21H,1-2H3,(H,19,22)/t11-,16-/m0/s1