[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-phenylethanoylamino)propanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-phenylethanoylamino)propanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O6/c1-14(20(26)22-16-9-5-6-10-17(16)23(27)28)29-19(25)11-12-21-18(24)13-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,26)