5-[[4-(cyanomethyl)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[4-(cyanomethyl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(cyanomethyl)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(cyanomethyl)anilino]-5-oxopentanoate IUPAC Name: 5-[4-(cyanomethyl)anilino]-5-oxopentanoate Traditional Name: 5-[4-(cyanomethyl)anilino]-5-keto-valerate Formula: C13H13N2O3- MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c14-9-8-10-4-6-11(7-5-10)15-12(16)2-1-3-13(17)18/h4-7H,1-3,8H2,(H,15,16)(H,17,18)/p-1