4-[[(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-keto-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]methyl]benzoic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CC(=O)NN=C1C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13N3O4/c17-11-6-5-10(15-16-11)12(18)14-7-8-1-3-9(4-2-8)13(19)20/h1-4H,5-7H2,(H,14,18)(H,16,17)(H,19,20)