[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6/c1-14(2)20(23-18(25)12-15-8-4-3-5-9-15)21(27)30-13-19(26)22-16-10-6-7-11-17(16)24(28)29/h3-11,14,20H,12-13H2,1-2H3,(H,22,26)(H,23,25)/t20-/m0/s1