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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-5-bromanyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-5-bromo-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-5-bromo-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-5-bromo-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-5-bromo-1H-indol-3-yl]acetic acid Formula: C17H12BrNO4 MolecularWeight: 374.18548

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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)Br)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO4/c18-10-2-3-13-11(6-10)12(7-16(20)21)17(19-13)9-1-4-14-15(5-9)23-8-22-14/h1-6,19H,7-8H2,(H,20,21)