[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenoxypropanoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenoxypropanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C(C)OC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)[C@H](C)OC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O6/c1-12(17(21)19-15-10-6-7-11-16(15)20(23)24)26-18(22)13(2)25-14-8-4-3-5-9-14/h3-13H,1-2H3,(H,19,21)/t12-,13+/m1/s1