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

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylcarbonyl)-6-chloranyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(1,3-benzodioxole-5-carbonyl)-6-chloro-indol-3-yl]acetic acid CAS Name: 2-[1-[1,3-benzodioxol-5-yl(oxo)methyl]-6-chloro-3-indolyl]acetic acid IUPAC Name: 2-[1-(1,3-benzodioxole-5-carbonyl)-6-chloroindol-3-yl]acetic acid Traditional Name: 2-(6-chloro-1-piperonyloyl-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)N3C=C(C4=C3C=C(C=C4)Cl)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N3C=C(C4=C3C=C(C=C4)Cl)CC(=O)O

InChI

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