6-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]pyridazin-3-olate Openeye Name: 6-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]pyridazin-3-olate CAS Name: 6-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]anilino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]pyridazin-3-olate Traditional Name: 6-[[3-[2-(3-carbomethoxyphenyl)ethynyl]phenyl]carbamoyl]pyridazin-3-olate Formula: C21H14N3O4- MolecularWeight: 372.35356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NN=C(C=C3)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NN=C(C=C3)[O-]

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)/p-1