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

Systemtic Name: methyl (E)-4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]but-2-enoate hydrochloride Openeye Name: methyl (E)-4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]but-2-enoate hydrochloride CAS Name: (E)-4-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-2-butenoic acid methyl ester hydrochloride IUPAC Name: methyl (E)-4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]but-2-enoate hydrochloride Traditional Name: (E)-4-[[6-(4-amidinophenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]but-2-enoic acid methyl ester hydrochloride Formula: C18H20ClN5O4 MolecularWeight: 405.8355

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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)OC.Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4.ClH/c1-23-18(26)13(17(25)21-9-3-4-15(24)27-2)10-14(22-23)11-5-7-12(8-6-11)16(19)20;/h3-8,10H,9H2,1-2H3,(H3,19,20)(H,21,25);1H/b4-3+;