[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-13(2)18(22-19(25)14-6-4-3-5-7-14)20(26)29-12-17(24)21-15-8-10-16(11-9-15)23(27)28/h3-11,13,18H,12H2,1-2H3,(H,21,24)(H,22,25)/t18-/m0/s1