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

Systemtic Name: ethyl (2R)-2-[(S)-benzamido-(4-nitrophenyl)methyl]-2-methyl-3-oxidanylidene-butanoate Openeye Name: ethyl (2R)-2-[(S)-benzamido-(4-nitrophenyl)methyl]-2-methyl-3-oxo-butanoate CAS Name: (2R)-2-[(S)-benzamido-(4-nitrophenyl)methyl]-2-methyl-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(S)-benzamido-(4-nitrophenyl)methyl]-2-methyl-3-oxobutanoate Traditional Name: (2R)-2-[(S)-benzamido-(4-nitrophenyl)methyl]-3-keto-2-methyl-butyric acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-4-29-20(26)21(3,14(2)24)18(15-10-12-17(13-11-15)23(27)28)22-19(25)16-8-6-5-7-9-16/h5-13,18H,4H2,1-3H3,(H,22,25)/t18-,21-/m0/s1