methyl 5-cyano-1-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-1-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-1-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-cyano-1-[2-[N-(cyanomethyl)anilino]-2-keto-ethyl]-6-keto-nicotinic acid methyl ester Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H14N4O4/c1-26-18(25)14-9-13(10-20)17(24)21(11-14)12-16(23)22(8-7-19)15-5-3-2-4-6-15/h2-6,9,11H,8,12H2,1H3