(2-cyanoethanoylamino) 4-chloranyl-2-ethyl-benzoate

Systemtic Name: (2-cyanoethanoylamino) 4-chloranyl-2-ethyl-benzoate Openeye Name: [(2-cyanoacetyl)amino] 4-chloro-2-ethyl-benzoate CAS Name: 4-chloro-2-ethylbenzoic acid [(2-cyano-1-oxoethyl)amino] ester IUPAC Name: [(2-cyanoacetyl)amino] 4-chloro-2-ethylbenzoate Traditional Name: 4-chloro-2-ethyl-benzoic acid [(2-cyanoacetyl)amino] ester Formula: C12H11ClN2O3 MolecularWeight: 266.68034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Cl)C(=O)ONC(=O)CC#N

Isomeric SMILES

CCC1=C(C=CC(=C1)Cl)C(=O)ONC(=O)CC#N

InChI

InChI=1S/C12H11ClN2O3/c1-2-8-7-9(13)3-4-10(8)12(17)18-15-11(16)5-6-14/h3-4,7H,2,5H2,1H3,(H,15,16)