(phenylmethyl) N-butyl-N-[2-nitroethanoyl(pentyl)carbamoyl]carbamate

Systemtic Name: (phenylmethyl) N-butyl-N-[2-nitroethanoyl(pentyl)carbamoyl]carbamate Openeye Name: benzyl N-butyl-N-[(2-nitroacetyl)-pentyl-carbamoyl]carbamate CAS Name: N-butyl-N-[[(2-nitro-1-oxoethyl)-pentylamino]-oxomethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-butyl-N-[(2-nitroacetyl)-pentylcarbamoyl]carbamate Traditional Name: N-[amyl-(2-nitroacetyl)carbamoyl]-N-butyl-carbamic acid benzyl ester Formula: C20H29N3O6 MolecularWeight: 407.46076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)C[N+](=O)[O-])C(=O)N(CCCC)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCN(C(=O)C[N+](=O)[O-])C(=O)N(CCCC)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H29N3O6/c1-3-5-10-14-21(18(24)15-23(27)28)19(25)22(13-6-4-2)20(26)29-16-17-11-8-7-9-12-17/h7-9,11-12H,3-6,10,13-16H2,1-2H3