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

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]terephthalic acid CAS Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]terephthalic acid Traditional Name: 2-[(7-chloropiperonyloyl)amino]terephthalic acid Formula: C16H10ClNO7 MolecularWeight: 363.7061

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C16H10ClNO7/c17-10-3-8(5-12-13(10)25-6-24-12)14(19)18-11-4-7(15(20)21)1-2-9(11)16(22)23/h1-5H,6H2,(H,18,19)(H,20,21)(H,22,23)