8-ethanoyl-1-(4-iodophenyl)-4-oxidanylidene-cinnoline-3-carboxylic acid

Systemtic Name: 8-ethanoyl-1-(4-iodophenyl)-4-oxidanylidene-cinnoline-3-carboxylic acid Openeye Name: 8-acetyl-1-(4-iodophenyl)-4-oxo-cinnoline-3-carboxylic acid CAS Name: 8-acetyl-1-(4-iodophenyl)-4-oxo-3-cinnolinecarboxylic acid IUPAC Name: 8-acetyl-1-(4-iodophenyl)-4-oxocinnoline-3-carboxylic acid Traditional Name: 8-acetyl-1-(4-iodophenyl)-4-keto-cinnoline-3-carboxylic acid Formula: C17H11IN2O4 MolecularWeight: 434.18471

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC2=C1N(N=C(C2=O)C(=O)O)C3=CC=C(C=C3)I

Isomeric SMILES

CC(=O)C1=CC=CC2=C1N(N=C(C2=O)C(=O)O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H11IN2O4/c1-9(21)12-3-2-4-13-15(12)20(11-7-5-10(18)6-8-11)19-14(16(13)22)17(23)24/h2-8H,1H3,(H,23,24)