5-[[4-acetyloxy-3,5-bis(chloranyl)phenyl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-acetyloxy-3,5-bis(chloranyl)phenyl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(4-acetoxy-3,5-dichloro-benzoyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(4-acetyloxy-3,5-dichlorophenyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(4-acetyloxy-3,5-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(4-acetoxy-3,5-dichloro-benzoyl)amino]isophthalic acid Formula: C17H11Cl2NO7 MolecularWeight: 412.17774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C17H11Cl2NO7/c1-7(21)27-14-12(18)5-8(6-13(14)19)15(22)20-11-3-9(16(23)24)2-10(4-11)17(25)26/h2-6H,1H3,(H,20,22)(H,23,24)(H,25,26)