3-methylhexyl N-(2-nitrophenyl)carbamate; 2-methylprop-1-ene

Systemtic Name: 3-methylhexyl N-(2-nitrophenyl)carbamate; 2-methylprop-1-ene Openeye Name: 3-methylhexyl N-(2-nitrophenyl)carbamate; 2-methylprop-1-ene CAS Name: 2-methyl-1-propene; N-(2-nitrophenyl)carbamic acid 3-methylhexyl ester IUPAC Name: 3-methylhexyl N-(2-nitrophenyl)carbamate; 2-methylprop-1-ene Traditional Name: isobutylene; N-(2-nitrophenyl)carbamic acid 3-methylhexyl ester Formula: C22H36N2O4 MolecularWeight: 392.53224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCOC(=O)NC1=CC=CC=C1[N+](=O)[O-].CC(=C)C.CC(=C)C

Isomeric SMILES

CCCC(C)CCOC(=O)NC1=CC=CC=C1[N+](=O)[O-].CC(=C)C.CC(=C)C

InChI

InChI=1S/C14H20N2O4.2C4H8/c1-3-6-11(2)9-10-20-14(17)15-12-7-4-5-8-13(12)16(18)19;2*1-4(2)3/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,15,17);2*1H2,2-3H3