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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(C=C2)N3C=C(N=C3)C=CC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(C=C2)N3C=C(N=C3)/C=C/C(=O)O)C(=N)N

InChI

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