2-methyl-3-[2-[3,4,5-tris(oxidanyl)phenyl]ethanoylamino]benzoic acid

Systemtic Name: 2-methyl-3-[2-[3,4,5-tris(oxidanyl)phenyl]ethanoylamino]benzoic acid Openeye Name: 2-methyl-3-[[2-(3,4,5-trihydroxyphenyl)acetyl]amino]benzoic acid CAS Name: 2-methyl-3-[[1-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[2-(3,4,5-trihydroxyphenyl)acetyl]amino]benzoic acid Traditional Name: 2-methyl-3-[[2-(3,4,5-trihydroxyphenyl)acetyl]amino]benzoic acid Formula: C16H15NO6 MolecularWeight: 317.2934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6/c1-8-10(16(22)23)3-2-4-11(8)17-14(20)7-9-5-12(18)15(21)13(19)6-9/h2-6,18-19,21H,7H2,1H3,(H,17,20)(H,22,23)