[(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenoxypropanoate

Systemtic Name: [(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenoxypropanoate Openeye Name: [(1S)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [(1S)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)CCOC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)CCOC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O7/c1-13(28-18(22)10-11-27-14-6-4-3-5-7-14)19(23)20-16-9-8-15(26-2)12-17(16)21(24)25/h3-9,12-13H,10-11H2,1-2H3,(H,20,23)/t13-/m0/s1