5-[(5-bromanyl-2-ethoxy-phenyl)carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(5-bromanyl-2-ethoxy-phenyl)carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(5-bromo-2-ethoxy-benzoyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(5-bromo-2-ethoxyphenyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(5-bromo-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(5-bromo-2-ethoxy-benzoyl)amino]isophthalic acid Formula: C17H14BrNO6 MolecularWeight: 408.20016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H14BrNO6/c1-2-25-14-4-3-11(18)8-13(14)15(20)19-12-6-9(16(21)22)5-10(7-12)17(23)24/h3-8H,2H2,1H3,(H,19,20)(H,21,22)(H,23,24)