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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-bromo-4-methoxy-benzoyl)amino]terephthalic acid CAS Name: 2-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3-bromo-4-methoxybenzoyl)amino]terephthalic acid Traditional Name: 2-[(3-bromo-4-methoxy-benzoyl)amino]terephthalic acid Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Br

InChI

InChI=1S/C16H12BrNO6/c1-24-13-5-3-8(6-11(13)17)14(19)18-12-7-9(15(20)21)2-4-10(12)16(22)23/h2-7H,1H3,(H,18,19)(H,20,21)(H,22,23)