5-[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]amino]isophthalic acid Formula: C18H16ClNO6 MolecularWeight: 377.77574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H16ClNO6/c1-18(2,26-14-5-3-12(19)4-6-14)17(25)20-13-8-10(15(21)22)7-11(9-13)16(23)24/h3-9H,1-2H3,(H,20,25)(H,21,22)(H,23,24)