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

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O7/c1-13(21-18(24)12-29-15-8-4-3-5-9-15)20(26)30-14(2)19(25)22-16-10-6-7-11-17(16)23(27)28/h3-11,13-14H,12H2,1-2H3,(H,21,24)(H,22,25)/t13-,14+/m0/s1