2-[2-(1,3-benzodioxol-5-yl)-7-chloranyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-7-chloranyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-7-chloro-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-7-chloro-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-7-chloro-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-7-chloro-1H-indol-3-yl]acetic acid Formula: C17H12ClNO4 MolecularWeight: 329.73448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClNO4/c18-12-3-1-2-10-11(7-15(20)21)16(19-17(10)12)9-4-5-13-14(6-9)23-8-22-13/h1-6,19H,7-8H2,(H,20,21)