methyl 4-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(=O)NC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(=O)NC2=CC=C(C=C2)C(=O)OC)C#N

InChI

InChI=1S/C17H16N4O4/c1-10-11(2)20-21(16(23)14(10)8-18)9-15(22)19-13-6-4-12(5-7-13)17(24)25-3/h4-7H,9H2,1-3H3,(H,19,22)