4-[6-(4-chlorophenyl)-4-oxidanylidene-3,5-dihydropyridazin-2-yl]but-3-ynoic acid

Systemtic Name: 4-[6-(4-chlorophenyl)-4-oxidanylidene-3,5-dihydropyridazin-2-yl]but-3-ynoic acid Openeye Name: 4-[6-(4-chlorophenyl)-4-oxo-3,5-dihydropyridazin-2-yl]but-3-ynoic acid CAS Name: 4-[6-(4-chlorophenyl)-4-oxo-3,5-dihydropyridazin-2-yl]-3-butynoic acid IUPAC Name: 4-[6-(4-chlorophenyl)-4-oxo-3,5-dihydropyridazin-2-yl]but-3-ynoic acid Traditional Name: 4-[6-(4-chlorophenyl)-4-keto-3,5-dihydropyridazin-2-yl]but-3-ynoic acid Formula: C14H11ClN2O3 MolecularWeight: 290.70174

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)CN(N=C1C2=CC=C(C=C2)Cl)C#CCC(=O)O

Isomeric SMILES

C1C(=O)CN(N=C1C2=CC=C(C=C2)Cl)C#CCC(=O)O

InChI

InChI=1S/C14H11ClN2O3/c15-11-5-3-10(4-6-11)13-8-12(18)9-17(16-13)7-1-2-14(19)20/h3-6H,2,8-9H2,(H,19,20)