methyl 5-[(4-cyanophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[(4-cyanophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-(4-cyanoanilino)-5-oxo-pentanoate CAS Name: 5-(4-cyanoanilino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(4-cyanoanilino)-5-oxopentanoate Traditional Name: 5-(4-cyanoanilino)-5-keto-valeric acid methyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NC1=CC=C(C=C1)C#N

Isomeric SMILES

COC(=O)CCCC(=O)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H14N2O3/c1-18-13(17)4-2-3-12(16)15-11-7-5-10(9-14)6-8-11/h5-8H,2-4H2,1H3,(H,15,16)