1-(5-bromanyl-3-oxidanyl-indol-1-yl)ethanone; ethanoic acid

Systemtic Name: 1-(5-bromanyl-3-oxidanyl-indol-1-yl)ethanone; ethanoic acid Openeye Name: acetic acid; 1-(5-bromo-3-hydroxy-indol-1-yl)ethanone CAS Name: acetic acid; 1-(5-bromo-3-hydroxy-1-indolyl)ethanone IUPAC Name: acetic acid; 1-(5-bromo-3-hydroxyindol-1-yl)ethanone Traditional Name: acetic acid; 1-(5-bromo-3-hydroxy-indol-1-yl)ethanone Formula: C12H12BrNO4 MolecularWeight: 314.13198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=C1C=CC(=C2)Br)O.CC(=O)O

Isomeric SMILES

CC(=O)N1C=C(C2=C1C=CC(=C2)Br)O.CC(=O)O

InChI

InChI=1S/C10H8BrNO2.C2H4O2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12;1-2(3)4/h2-5,14H,1H3;1H3,(H,3,4)