[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O7/c1-13(20-17(23)11-28-16-5-3-2-4-6-16)19(25)29-12-18(24)21-14-7-9-15(10-8-14)22(26)27/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,24)/t13-/m0/s1