methyl 2-methyl-3-[2-[2,3,4-tris(oxidanyl)phenyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-methyl-3-[2-[2,3,4-tris(oxidanyl)phenyl]ethanoylamino]benzoate Openeye Name: methyl 2-methyl-3-[[2-(2,3,4-trihydroxyphenyl)acetyl]amino]benzoate CAS Name: 2-methyl-3-[[1-oxo-2-(2,3,4-trihydroxyphenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[2-(2,3,4-trihydroxyphenyl)acetyl]amino]benzoate Traditional Name: 2-methyl-3-[[2-(2,3,4-trihydroxyphenyl)acetyl]amino]benzoic acid methyl ester Formula: C17H17NO6 MolecularWeight: 331.31998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CC2=C(C(=C(C=C2)O)O)O)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CC2=C(C(=C(C=C2)O)O)O)C(=O)OC

InChI

InChI=1S/C17H17NO6/c1-9-11(17(23)24-2)4-3-5-12(9)18-14(20)8-10-6-7-13(19)16(22)15(10)21/h3-7,19,21-22H,8H2,1-2H3,(H,18,20)