[7-[3,5-bis(chloranyl)-4-cyano-phenyl]-7-bicyclo[2.2.1]hept-2-enyl] 4-nitrobenzoate

Systemtic Name: [7-[3,5-bis(chloranyl)-4-cyano-phenyl]-7-bicyclo[2.2.1]hept-2-enyl] 4-nitrobenzoate Openeye Name: [7-(3,5-dichloro-4-cyano-phenyl)-7-bicyclo[2.2.1]hept-2-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [7-(3,5-dichloro-4-cyanophenyl)-7-bicyclo[2.2.1]hept-2-enyl] ester IUPAC Name: [7-(3,5-dichloro-4-cyanophenyl)-7-bicyclo[2.2.1]hept-2-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [7-(3,5-dichloro-4-cyano-phenyl)-7-bicyclo[2.2.1]hept-2-enyl] ester Formula: C21H14Cl2N2O4 MolecularWeight: 429.25286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=CC1C2(C3=CC(=C(C(=C3)Cl)C#N)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2C=CC1C2(C3=CC(=C(C(=C3)Cl)C#N)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14Cl2N2O4/c22-18-9-15(10-19(23)17(18)11-24)21(13-3-4-14(21)6-5-13)29-20(26)12-1-7-16(8-2-12)25(27)28/h1-4,7-10,13-14H,5-6H2