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

Systemtic Name: [3-(4-chloranyl-2-nitro-phenyl)carbonyl-4-oxidanylidene-5-bicyclo[3.2.1]oct-2-enyl] propanoate Openeye Name: [3-(4-chloro-2-nitro-benzoyl)-4-oxo-5-bicyclo[3.2.1]oct-2-enyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [3-(4-chloro-2-nitro-benzoyl)-4-keto-5-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)OC12CCC(C1)C=C(C2=O)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO6/c1-2-15(21)26-18-6-5-10(9-18)7-13(17(18)23)16(22)12-4-3-11(19)8-14(12)20(24)25/h3-4,7-8,10H,2,5-6,9H2,1H3