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

Systemtic Name: methyl 3-[2-[3-[(6-oxidanylidene-1H-pyridazin-3-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo-(6-oxo-1H-pyridazin-3-yl)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(6-keto-1H-pyridazine-3-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C21H15N3O4 MolecularWeight: 373.3615

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NNC(=O)C=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C21H15N3O4/c1-28-21(27)16-6-2-4-14(12-16)8-9-15-5-3-7-17(13-15)22-20(26)18-10-11-19(25)24-23-18/h2-7,10-13H,1H3,(H,22,26)(H,24,25)