(phenylmethyl) N-[4-methyl-1-oxidanylidene-1-(1-oxidanylidenehexan-2-ylamino)pentan-2-yl]-N-nitro-carbamate

Systemtic Name: (phenylmethyl) N-[4-methyl-1-oxidanylidene-1-(1-oxidanylidenehexan-2-ylamino)pentan-2-yl]-N-nitro-carbamate Openeye Name: benzyl N-[1-(1-formylpentylcarbamoyl)-3-methyl-butyl]-N-nitro-carbamate CAS Name: N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]-N-nitrocarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]-N-nitrocarbamate Traditional Name: N-[1-(1-formylpentylcarbamoyl)-3-methyl-butyl]-N-nitro-carbamic acid benzyl ester Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O6/c1-4-5-11-17(13-24)21-19(25)18(12-15(2)3)22(23(27)28)20(26)29-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,25)