2-[2-(1,3-benzodioxol-5-ylcarbonyl)-6-chloranyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylcarbonyl)-6-chloranyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxole-5-carbonyl)-6-chloro-1H-indol-3-yl]acetic acid CAS Name: 2-[2-[1,3-benzodioxol-5-yl(oxo)methyl]-6-chloro-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxole-5-carbonyl)-6-chloro-1H-indol-3-yl]acetic acid Traditional Name: 2-(6-chloro-2-piperonyloyl-1H-indol-3-yl)acetic acid Formula: C18H12ClNO5 MolecularWeight: 357.74458

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C3=C(C4=C(N3)C=C(C=C4)Cl)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C3=C(C4=C(N3)C=C(C=C4)Cl)CC(=O)O

InChI

InChI=1S/C18H12ClNO5/c19-10-2-3-11-12(7-16(21)22)17(20-13(11)6-10)18(23)9-1-4-14-15(5-9)25-8-24-14/h1-6,20H,7-8H2,(H,21,22)