[6,6-dimethyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-yl] 4-nitrobenzoate

Systemtic Name: [6,6-dimethyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-yl] 4-nitrobenzoate Openeye Name: [6,6-dimethyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6,6-dimethyl-5-(3-methylbut-2-enyl)-1-cyclohex-2-enyl] ester IUPAC Name: [6,6-dimethyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6,6-dimethyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-yl] ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1CC=CC(C1(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=CCC1CC=CC(C1(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H25NO4/c1-14(2)8-11-16-6-5-7-18(20(16,3)4)25-19(22)15-9-12-17(13-10-15)21(23)24/h5,7-10,12-13,16,18H,6,11H2,1-4H3