(phenylmethyl) N-(2-nitrohexan-3-yl)-N-(phenylmethyl)carbamate

Systemtic Name: (phenylmethyl) N-(2-nitrohexan-3-yl)-N-(phenylmethyl)carbamate Openeye Name: benzyl N-benzyl-N-[1-(1-nitroethyl)butyl]carbamate CAS Name: N-(2-nitrohexan-3-yl)-N-(phenylmethyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-benzyl-N-(2-nitrohexan-3-yl)carbamate Traditional Name: N-benzyl-N-[1-(1-nitroethyl)butyl]carbamic acid benzyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)[N+](=O)[O-])N(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC(C(C)[N+](=O)[O-])N(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4/c1-3-10-20(17(2)23(25)26)22(15-18-11-6-4-7-12-18)21(24)27-16-19-13-8-5-9-14-19/h4-9,11-14,17,20H,3,10,15-16H2,1-2H3