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4-[2-(1,3-benzodioxol-5-ylcarbonylamino)phenoxy]phthalic acid

4-[2-(1,3-benzodioxol-5-ylcarbonylamino)phenoxy]phthalic acid

Systemtic Name:4-[2-(1,3-benzodioxol-5-ylcarbonylamino)phenoxy]phthalic acid
Openeye Name:4-[2-(1,3-benzodioxole-5-carbonylamino)phenoxy]phthalic acid
CAS Name:4-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenoxy]phthalic acid
IUPAC Name:4-[2-(1,3-benzodioxole-5-carbonylamino)phenoxy]phthalic acid
Traditional Name:4-[2-(piperonyloylamino)phenoxy]phthalic acid
Formula: C22H15NO8
MolecularWeight: 421.3564
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC=C3OC4=CC(=C(C=C4)C(=O)O)C(=O)O


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC=C3OC4=CC(=C(C=C4)C(=O)O)C(=O)O


InChI

InChI=1S/C22H15NO8/c24-20(12-5-8-18-19(9-12)30-11-29-18)23-16-3-1-2-4-17(16)31-13-6-7-14(21(25)26)15(10-13)22(27)28/h1-10H,11H2,(H,23,24)(H,25,26)(H,27,28)


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