(phenylmethyl) N-[(2S)-3-methyl-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-[[(3-nitrophenyl)-oxomethyl]hydrazo]-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]carbamic acid benzyl ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N4O6/c1-13(2)17(21-20(27)30-12-14-7-4-3-5-8-14)19(26)23-22-18(25)15-9-6-10-16(11-15)24(28)29/h3-11,13,17H,12H2,1-2H3,(H,21,27)(H,22,25)(H,23,26)/t17-/m0/s1