2-[4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[6-(4-amidinophenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]phenyl]acetic acid Formula: C21H19N5O4 MolecularWeight: 405.40666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C21H19N5O4/c1-26-21(30)16(11-17(25-26)13-4-6-14(7-5-13)19(22)23)20(29)24-15-8-2-12(3-9-15)10-18(27)28/h2-9,11H,10H2,1H3,(H3,22,23)(H,24,29)(H,27,28)