[(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 4-nitrobenzoate

Systemtic Name: [(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 4-nitrobenzoate Openeye Name: [(2S)-2,6,6-trimethylnorpinan-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] ester IUPAC Name: [(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-2,6,6-trimethylnorpinan-3-yl] ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C2(C)C)CC1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C2CC(C2(C)C)CC1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21NO4/c1-10-14-8-12(17(14,2)3)9-15(10)22-16(19)11-4-6-13(7-5-11)18(20)21/h4-7,10,12,14-15H,8-9H2,1-3H3/t10-,12?,14?,15?/m0/s1