(3,3-dimethylcyclohexyl) 4-nitrobenzoate

Systemtic Name: (3,3-dimethylcyclohexyl) 4-nitrobenzoate Openeye Name: (3,3-dimethylcyclohexyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3,3-dimethylcyclohexyl) ester IUPAC Name: (3,3-dimethylcyclohexyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3,3-dimethylcyclohexyl) ester Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCCC(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H19NO4/c1-15(2)9-3-4-13(10-15)20-14(17)11-5-7-12(8-6-11)16(18)19/h5-8,13H,3-4,9-10H2,1-2H3