[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C16H18ClNO4 MolecularWeight: 323.77142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCC(C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCC(C)C

InChI

InChI=1S/C16H18ClNO4/c1-9(2)7-18-14(19)8-21-16(20)15-10(3)12-6-11(17)4-5-13(12)22-15/h4-6,9H,7-8H2,1-3H3,(H,18,19)