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

Systemtic Name: [3-(4-chloranyl-2-nitro-phenyl)carbonyl-4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl] ethanoate Openeye Name: [3-(4-chloro-2-nitro-benzoyl)-4-oxo-2-bicyclo[3.2.1]oct-2-enyl] acetate CAS Name: acetic acid [3-[(4-chloro-2-nitrophenyl)-oxomethyl]-4-oxo-2-bicyclo[3.2.1]oct-2-enyl] ester IUPAC Name: [3-(4-chloro-2-nitrobenzoyl)-4-oxo-2-bicyclo[3.2.1]oct-2-enyl] acetate Traditional Name: acetic acid [3-(4-chloro-2-nitro-benzoyl)-4-keto-2-bicyclo[3.2.1]oct-2-enyl] ester Formula: C17H14ClNO6 MolecularWeight: 363.74916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=O)C2CCC1C2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C(=O)C2CCC1C2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClNO6/c1-8(20)25-17-10-3-2-9(6-10)15(21)14(17)16(22)12-5-4-11(18)7-13(12)19(23)24/h4-5,7,9-10H,2-3,6H2,1H3