4-[(E)-2-[6-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[6-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[6-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]vinyl]benzoic acid Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C=CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)/C=C/C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H18N4O3/c1-12-10-19(26)24-25-20(12)15-7-8-16-17(11-15)23-18(22-16)9-4-13-2-5-14(6-3-13)21(27)28/h2-9,11-12H,10H2,1H3,(H,22,23)(H,24,26)(H,27,28)/b9-4+