(E)-3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-imidazol-5-yl]-2-propenoic acid IUPAC Name: (E)-3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-imidazol-5-yl]acrylic acid Formula: C17H14N6O2 MolecularWeight: 334.33206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(C=C2)C3=NC=C(N3)C=CC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(C=C2)C3=NC=C(N3)/C=C/C(=O)O)C(=N)N

InChI

InChI=1S/C17H14N6O2/c18-16(19)11-3-1-10(2-4-11)13-6-7-14(23-22-13)17-20-9-12(21-17)5-8-15(24)25/h1-9H,(H3,18,19)(H,20,21)(H,24,25)/b8-5+