4-[[5-(1,3-benzodioxol-5-yloxy)-2-methyl-3-oxidanylidene-pyridazin-4-yl]amino]benzoate

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-yloxy)-2-methyl-3-oxidanylidene-pyridazin-4-yl]amino]benzoate Openeye Name: 4-[[5-(1,3-benzodioxol-5-yloxy)-2-methyl-3-oxo-pyridazin-4-yl]amino]benzoate CAS Name: 4-[[5-(1,3-benzodioxol-5-yloxy)-2-methyl-3-oxo-4-pyridazinyl]amino]benzoate IUPAC Name: 4-[[5-(1,3-benzodioxol-5-yloxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzoate Traditional Name: 4-[[5-(1,3-benzodioxol-5-yloxy)-3-keto-2-methyl-pyridazin-4-yl]amino]benzoate Formula: C19H14N3O6- MolecularWeight: 380.33096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)OC2=CC3=C(C=C2)OCO3)NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC2=CC3=C(C=C2)OCO3)NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C19H15N3O6/c1-22-18(23)17(21-12-4-2-11(3-5-12)19(24)25)16(9-20-22)28-13-6-7-14-15(8-13)27-10-26-14/h2-9,21H,10H2,1H3,(H,24,25)/p-1