methyl (2S)-2-[(S)-acetamido-(4-nitrophenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl (2S)-2-[(S)-acetamido-(4-nitrophenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: methyl (2S)-2-[(S)-acetamido-(4-nitrophenyl)methyl]-3-oxo-butanoate CAS Name: (2S)-2-[(S)-acetamido-(4-nitrophenyl)methyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(S)-acetamido-(4-nitrophenyl)methyl]-3-oxobutanoate Traditional Name: (2S)-2-[(S)-acetamido-(4-nitrophenyl)methyl]-3-keto-butyric acid methyl ester Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6/c1-8(17)12(14(19)22-3)13(15-9(2)18)10-4-6-11(7-5-10)16(20)21/h4-7,12-13H,1-3H3,(H,15,18)/t12-,13-/m1/s1