[2,2-dimethyl-3-(2-methyl-5-prop-1-en-2-yl-cyclopenten-1-yl)propyl] 4-nitrobenzoate

Systemtic Name: [2,2-dimethyl-3-(2-methyl-5-prop-1-en-2-yl-cyclopenten-1-yl)propyl] 4-nitrobenzoate Openeye Name: [3-(5-isopropenyl-2-methyl-cyclopenten-1-yl)-2,2-dimethyl-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2,2-dimethyl-3-[2-methyl-5-(1-methylethenyl)-1-cyclopentenyl]propyl] ester IUPAC Name: [2,2-dimethyl-3-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(5-isopropenyl-2-methyl-cyclopenten-1-yl)-2,2-dimethyl-propyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-14(2)18-11-6-15(3)19(18)12-21(4,5)13-26-20(23)16-7-9-17(10-8-16)22(24)25/h7-10,18H,1,6,11-13H2,2-5H3