6-(2-oxidanylideneethyl)-2-(6-oxidanylidene-3-pyridin-4-yl-1H-pyridazin-5-yl)indole-1-carboxylic acid

Systemtic Name: 6-(2-oxidanylideneethyl)-2-(6-oxidanylidene-3-pyridin-4-yl-1H-pyridazin-5-yl)indole-1-carboxylic acid Openeye Name: 6-(2-oxoethyl)-2-[6-oxo-3-(4-pyridyl)-1H-pyridazin-5-yl]indole-1-carboxylic acid CAS Name: 6-(2-oxoethyl)-2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1-indolecarboxylic acid IUPAC Name: 6-(2-oxoethyl)-2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)indole-1-carboxylic acid Traditional Name: 6-(2-ketoethyl)-2-[6-keto-3-(4-pyridyl)-1H-pyridazin-5-yl]indole-1-carboxylic acid Formula: C20H14N4O4 MolecularWeight: 374.34956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC=O)N(C(=C2)C3=CC(=NNC3=O)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1CC=O)N(C(=C2)C3=CC(=NNC3=O)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C20H14N4O4/c25-8-5-12-1-2-14-10-18(24(20(27)28)17(14)9-12)15-11-16(22-23-19(15)26)13-3-6-21-7-4-13/h1-4,6-11H,5H2,(H,23,26)(H,27,28)