(E)-4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]but-2-enoic acid

Systemtic Name: (E)-4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]but-2-enoic acid Openeye Name: (E)-4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]but-2-enoic acid CAS Name: (E)-4-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-2-butenoic acid IUPAC Name: (E)-4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]but-2-enoic acid Traditional Name: (E)-4-[[6-(4-amidinophenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]but-2-enoic acid Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCC=CC(=O)O

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NC/C=C/C(=O)O

InChI

InChI=1S/C17H17N5O4/c1-22-17(26)12(16(25)20-8-2-3-14(23)24)9-13(21-22)10-4-6-11(7-5-10)15(18)19/h2-7,9H,8H2,1H3,(H3,18,19)(H,20,25)(H,23,24)/b3-2+