6-[(3-chloranyl-4-cyano-phenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-chloranyl-4-cyano-phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(3-chloro-4-cyano-anilino)-6-oxo-hexanoic acid CAS Name: 6-(3-chloro-4-cyanoanilino)-6-oxohexanoic acid IUPAC Name: 6-(3-chloro-4-cyanoanilino)-6-oxohexanoic acid Traditional Name: 6-(3-chloro-4-cyano-anilino)-6-keto-hexanoic acid Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCCC(=O)O)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCCC(=O)O)Cl)C#N

InChI

InChI=1S/C13H13ClN2O3/c14-11-7-10(6-5-9(11)8-15)16-12(17)3-1-2-4-13(18)19/h5-7H,1-4H2,(H,16,17)(H,18,19)