(4,7,7-trimethyl-4-oxidanyl-5-bicyclo[4.1.0]heptanyl) 4-nitrobenzoate

Systemtic Name: (4,7,7-trimethyl-4-oxidanyl-5-bicyclo[4.1.0]heptanyl) 4-nitrobenzoate Openeye Name: (3-hydroxy-3,7,7-trimethyl-norcaran-2-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-hydroxy-4,7,7-trimethyl-5-bicyclo[4.1.0]heptanyl) ester IUPAC Name: (4-hydroxy-4,7,7-trimethyl-5-bicyclo[4.1.0]heptanyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-hydroxy-3,7,7-trimethyl-norcaran-2-yl) ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(C(CC2)(C)O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C2C1C(C(CC2)(C)O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H21NO5/c1-16(2)12-8-9-17(3,20)14(13(12)16)23-15(19)10-4-6-11(7-5-10)18(21)22/h4-7,12-14,20H,8-9H2,1-3H3