methyl 2-[(E)-2-(5-cyano-4-methyl-6-oxidanylidene-1H-pyridazin-3-yl)ethenyl]benzoate

Systemtic Name: methyl 2-[(E)-2-(5-cyano-4-methyl-6-oxidanylidene-1H-pyridazin-3-yl)ethenyl]benzoate Openeye Name: methyl 2-[(E)-2-(5-cyano-4-methyl-6-oxo-1H-pyridazin-3-yl)vinyl]benzoate CAS Name: 2-[(E)-2-(5-cyano-4-methyl-6-oxo-1H-pyridazin-3-yl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(5-cyano-4-methyl-6-oxo-1H-pyridazin-3-yl)ethenyl]benzoate Traditional Name: 2-[(E)-2-(5-cyano-6-keto-4-methyl-1H-pyridazin-3-yl)vinyl]benzoic acid methyl ester Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1C=CC2=CC=CC=C2C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=O)NN=C1/C=C/C2=CC=CC=C2C(=O)OC)C#N

InChI

InChI=1S/C16H13N3O3/c1-10-13(9-17)15(20)19-18-14(10)8-7-11-5-3-4-6-12(11)16(21)22-2/h3-8H,1-2H3,(H,19,20)/b8-7+