4-chloranyl-2-(4-methylpentanoylamino)benzoate

Systemtic Name: 4-chloranyl-2-(4-methylpentanoylamino)benzoate Openeye Name: 4-chloro-2-(4-methylpentanoylamino)benzoate CAS Name: 4-chloro-2-[(4-methyl-1-oxopentyl)amino]benzoate IUPAC Name: 4-chloro-2-(4-methylpentanoylamino)benzoate Traditional Name: 4-chloro-2-(4-methylpentanoylamino)benzoate Formula: C13H15ClNO3- MolecularWeight: 268.7161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)CCC(=O)NC1=C(C=CC(=C1)Cl)C(=O)[O-]

InChI

InChI=1S/C13H16ClNO3/c1-8(2)3-6-12(16)15-11-7-9(14)4-5-10(11)13(17)18/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H,17,18)/p-1