ethanoic acid; methyl 5-bromanyl-1H-indole-3-carboxylate

Systemtic Name: ethanoic acid; methyl 5-bromanyl-1H-indole-3-carboxylate Openeye Name: acetic acid; methyl 5-bromo-1H-indole-3-carboxylate CAS Name: acetic acid; 5-bromo-1H-indole-3-carboxylic acid methyl ester IUPAC Name: acetic acid; methyl 5-bromo-1H-indole-3-carboxylate Traditional Name: acetic acid; 5-bromo-1H-indole-3-carboxylic acid methyl ester Formula: C12H12BrNO4 MolecularWeight: 314.13198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC(=O)C1=CNC2=C1C=C(C=C2)Br

Isomeric SMILES

CC(=O)O.COC(=O)C1=CNC2=C1C=C(C=C2)Br

InChI

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