4-[5-oxidanylidene-6-(phenylmethyl)pyrido[2,3-d]pyridazin-8-yl]benzoic acid

Systemtic Name: 4-[5-oxidanylidene-6-(phenylmethyl)pyrido[2,3-d]pyridazin-8-yl]benzoic acid Openeye Name: 4-(6-benzyl-5-oxo-pyrido[2,3-d]pyridazin-8-yl)benzoic acid CAS Name: 4-[5-oxo-6-(phenylmethyl)-8-pyrido[2,3-d]pyridazinyl]benzoic acid IUPAC Name: 4-(6-benzyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoic acid Traditional Name: 4-(6-benzyl-5-keto-pyrido[2,3-d]pyridazin-8-yl)benzoic acid Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C(=N2)C4=CC=C(C=C4)C(=O)O)N=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C(=N2)C4=CC=C(C=C4)C(=O)O)N=CC=C3

InChI

InChI=1S/C21H15N3O3/c25-20-17-7-4-12-22-19(17)18(15-8-10-16(11-9-15)21(26)27)23-24(20)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,26,27)