[3-(4-chloranyl-2-nitro-phenyl)carbonyl-4-oxidanylidene-5-bicyclo[3.2.1]oct-2-enyl] benzoate

Systemtic Name: [3-(4-chloranyl-2-nitro-phenyl)carbonyl-4-oxidanylidene-5-bicyclo[3.2.1]oct-2-enyl] benzoate Openeye Name: [3-(4-chloro-2-nitro-benzoyl)-4-oxo-5-bicyclo[3.2.1]oct-2-enyl] benzoate CAS Name: benzoic acid [3-[(4-chloro-2-nitrophenyl)-oxomethyl]-4-oxo-5-bicyclo[3.2.1]oct-2-enyl] ester IUPAC Name: [3-(4-chloro-2-nitrobenzoyl)-4-oxo-5-bicyclo[3.2.1]oct-2-enyl] benzoate Traditional Name: benzoic acid [3-(4-chloro-2-nitro-benzoyl)-4-keto-5-bicyclo[3.2.1]oct-2-enyl] ester Formula: C22H16ClNO6 MolecularWeight: 425.81854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1C=C(C2=O)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC2(CC1C=C(C2=O)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H16ClNO6/c23-15-6-7-16(18(11-15)24(28)29)19(25)17-10-13-8-9-22(12-13,20(17)26)30-21(27)14-4-2-1-3-5-14/h1-7,10-11,13H,8-9,12H2