(3-methyl-6-prop-1-en-2-yl-cyclohex-3-en-1-yl) 3,5-dinitrobenzoate

Systemtic Name: (3-methyl-6-prop-1-en-2-yl-cyclohex-3-en-1-yl) 3,5-dinitrobenzoate Openeye Name: (6-isopropenyl-3-methyl-cyclohex-3-en-1-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-methyl-6-(1-methylethenyl)-1-cyclohex-3-enyl] ester IUPAC Name: (3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (6-isopropenyl-3-methyl-cyclohex-3-en-1-yl) ester Formula: C17H18N2O6 MolecularWeight: 346.33462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=C)C

Isomeric SMILES

CC1=CCC(C(C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=C)C

InChI

InChI=1S/C17H18N2O6/c1-10(2)15-5-4-11(3)6-16(15)25-17(20)12-7-13(18(21)22)9-14(8-12)19(23)24/h4,7-9,15-16H,1,5-6H2,2-3H3