4-[(3-cyanophenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-cyanophenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-cyanophenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-cyanophenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-cyanophenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(3-cyanobenzyl)amino]-4-keto-butyric acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)CCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)CCC(=O)O)C#N

InChI

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