2-chloranyl-N-[2-cyanoethyl(phenyl)carbamoyl]propanamide

Systemtic Name: 2-chloranyl-N-[2-cyanoethyl(phenyl)carbamoyl]propanamide Openeye Name: 2-chloro-N-[2-cyanoethyl(phenyl)carbamoyl]propanamide CAS Name: 2-chloro-N-[[N-(2-cyanoethyl)anilino]-oxomethyl]propanamide IUPAC Name: 2-chloro-N-[2-cyanoethyl(phenyl)carbamoyl]propanamide Traditional Name: 2-chloro-N-[2-cyanoethyl(phenyl)carbamoyl]propionamide Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O2/c1-10(14)12(18)16-13(19)17(9-5-8-15)11-6-3-2-4-7-11/h2-4,6-7,10H,5,9H2,1H3,(H,16,18,19)