methyl 3-[2-[3-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(1-methyl-6-oxo-3-pyridazinyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(6-keto-1-methyl-pyridazine-3-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C22H17N3O4/c1-25-20(26)12-11-19(24-25)21(27)23-18-8-4-6-16(14-18)10-9-15-5-3-7-17(13-15)22(28)29-2/h3-8,11-14H,1-2H3,(H,23,27)