5-[(3-cyanophenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-cyanophenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-cyanoanilino)-5-oxo-pentanoic acid CAS Name: 5-(3-cyanoanilino)-5-oxopentanoic acid IUPAC Name: 5-(3-cyanoanilino)-5-oxopentanoic acid Traditional Name: 5-(3-cyanoanilino)-5-keto-valeric acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCC(=O)O)C#N

InChI

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