(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl) 4-nitrobenzoate

Systemtic Name: (6,6-dimethyl-4-bicyclo[3.1.1]heptanyl) 4-nitrobenzoate Openeye Name: (6,6-dimethylnorpinan-2-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (6,6-dimethyl-4-bicyclo[3.1.1]heptanyl) ester IUPAC Name: (6,6-dimethyl-4-bicyclo[3.1.1]heptanyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (6,6-dimethylnorpinan-2-yl) ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C1C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C2CCC(C1C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H19NO4/c1-16(2)11-5-8-14(13(16)9-11)21-15(18)10-3-6-12(7-4-10)17(19)20/h3-4,6-7,11,13-14H,5,8-9H2,1-2H3