methyl 3-[(3-chloranyl-4-cyano-phenyl)amino]butanoate

Systemtic Name: methyl 3-[(3-chloranyl-4-cyano-phenyl)amino]butanoate Openeye Name: methyl 3-(3-chloro-4-cyano-anilino)butanoate CAS Name: 3-(3-chloro-4-cyanoanilino)butanoic acid methyl ester IUPAC Name: methyl 3-(3-chloro-4-cyanoanilino)butanoate Traditional Name: 3-(3-chloro-4-cyano-anilino)butyric acid methyl ester Formula: C12H13ClN2O2 MolecularWeight: 252.69682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O2/c1-8(5-12(16)17-2)15-10-4-3-9(7-14)11(13)6-10/h3-4,6,8,15H,5H2,1-2H3