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

Systemtic Name: (3-chloranyl-5-cyano-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: (3-chloro-5-cyano-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid (3-chloro-5-cyanophenyl) ester IUPAC Name: (3-chloro-5-cyanophenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (3-chloro-5-cyano-phenyl) ester Formula: C18H15ClN2O3 MolecularWeight: 342.7763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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