ethyl 5-chloranyl-2-(3-cyanopropanoylamino)benzoate

Systemtic Name: ethyl 5-chloranyl-2-(3-cyanopropanoylamino)benzoate Openeye Name: ethyl 5-chloro-2-(3-cyanopropanoylamino)benzoate CAS Name: 5-chloro-2-[(3-cyano-1-oxopropyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-(3-cyanopropanoylamino)benzoate Traditional Name: 5-chloro-2-(3-cyanopropanoylamino)benzoic acid ethyl ester Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CCC#N

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CCC#N

InChI

InChI=1S/C13H13ClN2O3/c1-2-19-13(18)10-8-9(14)5-6-11(10)16-12(17)4-3-7-15/h5-6,8H,2-4H2,1H3,(H,16,17)