methyl 4-[cyanomethyl-(4-methoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[cyanomethyl-(4-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[N-(cyanomethyl)-4-methoxy-anilino]-4-oxo-butanoate CAS Name: 4-[N-(cyanomethyl)-4-methoxyanilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[N-(cyanomethyl)-4-methoxyanilino]-4-oxobutanoate Traditional Name: 4-[N-(cyanomethyl)-4-methoxy-anilino]-4-keto-butyric acid methyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC#N)C(=O)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N(CC#N)C(=O)CCC(=O)OC

InChI

InChI=1S/C14H16N2O4/c1-19-12-5-3-11(4-6-12)16(10-9-15)13(17)7-8-14(18)20-2/h3-6H,7-8,10H2,1-2H3