6-[(2-cyanophenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(2-cyanophenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(2-cyanoanilino)-6-oxo-hexanoic acid CAS Name: 6-(2-cyanoanilino)-6-oxohexanoic acid IUPAC Name: 6-(2-cyanoanilino)-6-oxohexanoic acid Traditional Name: 6-(2-cyanoanilino)-6-keto-hexanoic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c14-9-10-5-1-2-6-11(10)15-12(16)7-3-4-8-13(17)18/h1-2,5-6H,3-4,7-8H2,(H,15,16)(H,17,18)