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

Systemtic Name: [3-(4-chloranyl-2-nitro-phenyl)carbonyl-4-oxidanylidene-5-bicyclo[3.2.1]oct-2-enyl] 2-methylpropanoate Openeye Name: [3-(4-chloro-2-nitro-benzoyl)-4-oxo-5-bicyclo[3.2.1]oct-2-enyl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3-(4-chloro-2-nitro-benzoyl)-4-keto-5-bicyclo[3.2.1]oct-2-enyl] ester Formula: C19H18ClNO6 MolecularWeight: 391.80232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC12CCC(C1)C=C(C2=O)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)OC12CCC(C1)C=C(C2=O)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClNO6/c1-10(2)18(24)27-19-6-5-11(9-19)7-14(17(19)23)16(22)13-4-3-12(20)8-15(13)21(25)26/h3-4,7-8,10-11H,5-6,9H2,1-2H3