2-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-bromo-5-ethoxy-4-methoxy-benzoyl)amino]terephthalic acid CAS Name: 2-[[(3-bromo-5-ethoxy-4-methoxyphenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3-bromo-5-ethoxy-4-methoxybenzoyl)amino]terephthalic acid Traditional Name: 2-[(3-bromo-5-ethoxy-4-methoxy-benzoyl)amino]terephthalic acid Formula: C18H16BrNO7 MolecularWeight: 438.22614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO7/c1-3-27-14-8-10(6-12(19)15(14)26-2)16(21)20-13-7-9(17(22)23)4-5-11(13)18(24)25/h4-8H,3H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)