methyl 2-(butan-2-ylamino)-3-chloranyl-benzoate

Systemtic Name: methyl 2-(butan-2-ylamino)-3-chloranyl-benzoate Openeye Name: methyl 3-chloro-2-(sec-butylamino)benzoate CAS Name: 2-(butan-2-ylamino)-3-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-(butan-2-ylamino)-3-chlorobenzoate Traditional Name: 3-chloro-2-(sec-butylamino)benzoic acid methyl ester Formula: C12H16ClNO2 MolecularWeight: 241.71394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C=CC=C1Cl)C(=O)OC

Isomeric SMILES

CCC(C)NC1=C(C=CC=C1Cl)C(=O)OC

InChI

InChI=1S/C12H16ClNO2/c1-4-8(2)14-11-9(12(15)16-3)6-5-7-10(11)13/h5-8,14H,4H2,1-3H3