[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] propanoate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] propanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] propanoate CAS Name: propanoic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] propanoate Traditional Name: propionic acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)C(=O)NC1=CC(=C(C=C1)C#N)Cl

Isomeric SMILES

CCC(=O)OC(C)C(=O)NC1=CC(=C(C=C1)C#N)Cl

InChI

InChI=1S/C13H13ClN2O3/c1-3-12(17)19-8(2)13(18)16-10-5-4-9(7-15)11(14)6-10/h4-6,8H,3H2,1-2H3,(H,16,18)