2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]terephthalic acid CAS Name: 2-[[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]terephthalic acid Traditional Name: 2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]terephthalic acid Formula: C18H12BrNO6 MolecularWeight: 418.19498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H12BrNO6/c1-8-12-7-10(19)3-5-14(12)26-15(8)16(21)20-13-6-9(17(22)23)2-4-11(13)18(24)25/h2-7H,1H3,(H,20,21)(H,22,23)(H,24,25)