2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)terephthalic acid

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)terephthalic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)terephthalic acid CAS Name: 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]terephthalic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)terephthalic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)terephthalic acid Formula: C18H15NO7 MolecularWeight: 357.3142

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)OC1

InChI

InChI=1S/C18H15NO7/c20-16(10-3-5-14-15(9-10)26-7-1-6-25-14)19-13-8-11(17(21)22)2-4-12(13)18(23)24/h2-5,8-9H,1,6-7H2,(H,19,20)(H,21,22)(H,23,24)