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

Systemtic Name: 2-[2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]terephthalic acid Formula: C18H14ClNO7 MolecularWeight: 391.75926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO7/c19-12-5-9(6-14-16(12)27-4-3-26-14)7-15(21)20-13-8-10(17(22)23)1-2-11(13)18(24)25/h1-2,5-6,8H,3-4,7H2,(H,20,21)(H,22,23)(H,24,25)