hexan-2-yl N-(3,5-dinitrophenyl)carbamate

Systemtic Name: hexan-2-yl N-(3,5-dinitrophenyl)carbamate Openeye Name: 1-methylpentyl N-(3,5-dinitrophenyl)carbamate CAS Name: N-(3,5-dinitrophenyl)carbamic acid hexan-2-yl ester IUPAC Name: hexan-2-yl N-(3,5-dinitrophenyl)carbamate Traditional Name: N-(3,5-dinitrophenyl)carbamic acid 1-methylpentyl ester Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)NC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(C)OC(=O)NC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6/c1-3-4-5-9(2)22-13(17)14-10-6-11(15(18)19)8-12(7-10)16(20)21/h6-9H,3-5H2,1-2H3,(H,14,17)