(5-chloranyl-2-cyano-phenyl) 4-(2-methylpropanoylamino)benzoate

Systemtic Name: (5-chloranyl-2-cyano-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: (5-chloro-2-cyano-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid (5-chloro-2-cyanophenyl) ester IUPAC Name: (5-chloro-2-cyanophenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (5-chloro-2-cyano-phenyl) ester Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C18H15ClN2O3/c1-11(2)17(22)21-15-7-4-12(5-8-15)18(23)24-16-9-14(19)6-3-13(16)10-20/h3-9,11H,1-2H3,(H,21,22)