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

Systemtic Name: [3-(4-chloranyl-2-nitro-phenyl)carbonyl-4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl] propanoate Openeye Name: [3-(4-chloro-2-nitro-benzoyl)-4-oxo-2-bicyclo[3.2.1]oct-2-enyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [3-(4-chloro-2-nitro-benzoyl)-4-keto-2-bicyclo[3.2.1]oct-2-enyl] ester Formula: C18H16ClNO6 MolecularWeight: 377.77574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO6/c1-2-14(21)26-18-10-4-3-9(7-10)16(22)15(18)17(23)12-6-5-11(19)8-13(12)20(24)25/h5-6,8-10H,2-4,7H2,1H3