[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-benzamido-3-methyl-butanoate

Systemtic Name: [(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-benzamido-3-methyl-butanoate Openeye Name: [(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (2R)-2-benzamido-3-methyl-butanoate CAS Name: (2R)-2-benzamido-3-methylbutanoic acid [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] (2R)-2-benzamido-3-methylbutanoate Traditional Name: (2R)-2-benzamido-3-methyl-butyric acid [(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-13(2)18(23-20(26)15-8-5-4-6-9-15)21(27)30-14(3)19(25)22-16-10-7-11-17(12-16)24(28)29/h4-14,18H,1-3H3,(H,22,25)(H,23,26)/t14-,18-/m1/s1