[2,2-dimethyl-3-[(5R)-2-methyl-5-prop-1-en-2-yl-cyclopenten-1-yl]propyl] 3,5-dinitrobenzoate

Systemtic Name: [2,2-dimethyl-3-[(5R)-2-methyl-5-prop-1-en-2-yl-cyclopenten-1-yl]propyl] 3,5-dinitrobenzoate Openeye Name: [3-[(5R)-5-isopropenyl-2-methyl-cyclopenten-1-yl]-2,2-dimethyl-propyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2,2-dimethyl-3-[(5R)-2-methyl-5-(1-methylethenyl)-1-cyclopentenyl]propyl] ester IUPAC Name: [2,2-dimethyl-3-[(5R)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]propyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-[(5R)-5-isopropenyl-2-methyl-cyclopenten-1-yl]-2,2-dimethyl-propyl] ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6/c1-13(2)18-7-6-14(3)19(18)11-21(4,5)12-29-20(24)15-8-16(22(25)26)10-17(9-15)23(27)28/h8-10,18H,1,6-7,11-12H2,2-5H3/t18-/m1/s1