[1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: [1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: [2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid [2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C22H22N2O4/c1-14-8-9-15(2)18(12-14)22(27)16(3)28-21(26)10-11-24-19-7-5-4-6-17(19)20(25)13-23-24/h4-9,12-13,16H,10-11H2,1-3H3