4-[[4-(cyanomethyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(cyanomethyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(cyanomethyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(cyanomethyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(cyanomethyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(cyanomethyl)anilino]-4-keto-butyric acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H12N2O3/c13-8-7-9-1-3-10(4-2-9)14-11(15)5-6-12(16)17/h1-4H,5-7H2,(H,14,15)(H,16,17)