5-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]isophthalic acid Formula: C17H14ClNO6 MolecularWeight: 363.74916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H14ClNO6/c1-9-4-12(18)2-3-14(9)25-8-15(20)19-13-6-10(16(21)22)5-11(7-13)17(23)24/h2-7H,8H2,1H3,(H,19,20)(H,21,22)(H,23,24)