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

Systemtic Name: ethyl 4-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=C(C(=N2)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=C(C(=N2)C)C)C#N

InChI

InChI=1S/C18H18N4O4/c1-4-26-18(25)13-5-7-14(8-6-13)20-16(23)10-22-17(24)15(9-19)11(2)12(3)21-22/h5-8H,4,10H2,1-3H3,(H,20,23)