5-butoxy-1-(4-chlorophenyl)-4-oxidanylidene-cinnoline-3-carboxylic acid

Systemtic Name: 5-butoxy-1-(4-chlorophenyl)-4-oxidanylidene-cinnoline-3-carboxylic acid Openeye Name: 5-butoxy-1-(4-chlorophenyl)-4-oxo-cinnoline-3-carboxylic acid CAS Name: 5-butoxy-1-(4-chlorophenyl)-4-oxo-3-cinnolinecarboxylic acid IUPAC Name: 5-butoxy-1-(4-chlorophenyl)-4-oxocinnoline-3-carboxylic acid Traditional Name: 5-butoxy-1-(4-chlorophenyl)-4-keto-cinnoline-3-carboxylic acid Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H17ClN2O4/c1-2-3-11-26-15-6-4-5-14-16(15)18(23)17(19(24)25)21-22(14)13-9-7-12(20)8-10-13/h4-10H,2-3,11H2,1H3,(H,24,25)