2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]terephthalic acid CAS Name: 2-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]terephthalic acid Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-carbonyl)amino]terephthalic acid Formula: C17H12ClNO7 MolecularWeight: 377.73268

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H12ClNO7/c18-11-5-9(7-13-14(11)26-4-3-25-13)15(20)19-12-6-8(16(21)22)1-2-10(12)17(23)24/h1-2,5-7H,3-4H2,(H,19,20)(H,21,22)(H,23,24)