[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2CC3CCCC(C2)C3=O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2CC3CCCC(C2)C3=O

InChI

InChI=1S/C19H22N2O6/c1-11(18(23)20-15-5-7-16(8-6-15)21(25)26)27-19(24)14-9-12-3-2-4-13(10-14)17(12)22/h5-8,11-14H,2-4,9-10H2,1H3,(H,20,23)