[1-(cyclohexen-1-ylmethyl)cyclopropyl] 3,5-dinitrobenzoate

Systemtic Name: [1-(cyclohexen-1-ylmethyl)cyclopropyl] 3,5-dinitrobenzoate Openeye Name: [1-(cyclohexen-1-ylmethyl)cyclopropyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [1-(1-cyclohexenylmethyl)cyclopropyl] ester IUPAC Name: [1-(cyclohexen-1-ylmethyl)cyclopropyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [1-(cyclohexen-1-ylmethyl)cyclopropyl] ester Formula: C17H18N2O6 MolecularWeight: 346.33462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC2(CC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CC2(CC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c20-16(13-8-14(18(21)22)10-15(9-13)19(23)24)25-17(6-7-17)11-12-4-2-1-3-5-12/h4,8-10H,1-3,5-7,11H2