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

Systemtic Name: [2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[2-(4-nitrobenzoyl)hydrazino]-2-oxo-ethyl] (2R)-2-benzamido-3-methyl-butanoate CAS Name: (2R)-2-benzamido-3-methylbutanoic acid [2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate Traditional Name: (2R)-2-benzamido-3-methyl-butyric acid [2-keto-2-[N'-(4-nitrobenzoyl)hydrazino]ethyl] ester Formula: C21H22N4O7 MolecularWeight: 442.42198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O7/c1-13(2)18(22-19(27)14-6-4-3-5-7-14)21(29)32-12-17(26)23-24-20(28)15-8-10-16(11-9-15)25(30)31/h3-11,13,18H,12H2,1-2H3,(H,22,27)(H,23,26)(H,24,28)/t18-/m1/s1