(phenylmethyl) N-(3-methylbutyl)-N-[[(3S)-5-methyl-1-nitro-2-oxidanylidene-hexan-3-yl]carbamoyl]carbamate

Systemtic Name: (phenylmethyl) N-(3-methylbutyl)-N-[[(3S)-5-methyl-1-nitro-2-oxidanylidene-hexan-3-yl]carbamoyl]carbamate Openeye Name: benzyl N-isopentyl-N-[[(1S)-3-methyl-1-(2-nitroacetyl)butyl]carbamoyl]carbamate CAS Name: N-(3-methylbutyl)-N-[[[(3S)-5-methyl-1-nitro-2-oxohexan-3-yl]amino]-oxomethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(3-methylbutyl)-N-[[(3S)-5-methyl-1-nitro-2-oxohexan-3-yl]carbamoyl]carbamate Traditional Name: N-isoamyl-N-[[(1S)-3-methyl-1-(2-nitroacetyl)butyl]carbamoyl]carbamic acid benzyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)NC(CC(C)C)C(=O)C[N+](=O)[O-])C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CCN(C(=O)N[C@@H](CC(C)C)C(=O)C[N+](=O)[O-])C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H31N3O6/c1-15(2)10-11-23(21(27)30-14-17-8-6-5-7-9-17)20(26)22-18(12-16(3)4)19(25)13-24(28)29/h5-9,15-16,18H,10-14H2,1-4H3,(H,22,26)/t18-/m0/s1