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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC1)C(=C)C)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(CC1)C(=C)C)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c1-10(2)15-5-4-11(3)16(15)9-25-17(20)12-6-13(18(21)22)8-14(7-12)19(23)24/h6-8,15H,1,4-5,9H2,2-3H3