methyl 4-methyl-2-[(4-oxidanylidenecinnolin-1-yl)methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(4-oxidanylidenecinnolin-1-yl)methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-oxocinnolin-1-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(4-oxo-1-cinnolinyl)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-oxocinnolin-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 2-[(4-ketocinnolin-1-yl)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3C4=CC=CC=C4C(=O)C=N3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3C4=CC=CC=C4C(=O)C=N3)C(=O)OC

InChI

InChI=1S/C21H17N3O3/c1-13-14-7-3-5-9-16(14)23-17(20(13)21(26)27-2)12-24-18-10-6-4-8-15(18)19(25)11-22-24/h3-11H,12H2,1-2H3