(5,8,8-trimethyl-4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 4-chloranyl-2-nitro-benzoate

Systemtic Name: (5,8,8-trimethyl-4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 4-chloranyl-2-nitro-benzoate Openeye Name: (5,8,8-trimethyl-4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid (5,8,8-trimethyl-4-oxo-2-bicyclo[3.2.1]oct-2-enyl) ester IUPAC Name: (5,8,8-trimethyl-4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (4-keto-5,8,8-trimethyl-2-bicyclo[3.2.1]oct-2-enyl) ester Formula: C18H18ClNO5 MolecularWeight: 363.79222

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C=C2OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C)C

Isomeric SMILES

CC1(C2CCC1(C(=O)C=C2OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H18ClNO5/c1-17(2)12-6-7-18(17,3)15(21)9-14(12)25-16(22)11-5-4-10(19)8-13(11)20(23)24/h4-5,8-9,12H,6-7H2,1-3H3