methyl 4-bromanyl-3-ethanoyl-1-methyl-indole-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-ethanoyl-1-methyl-indole-2-carboxylate Openeye Name: methyl 3-acetyl-4-bromo-1-methyl-indole-2-carboxylate CAS Name: 3-acetyl-4-bromo-1-methyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-acetyl-4-bromo-1-methylindole-2-carboxylate Traditional Name: 3-acetyl-4-bromo-1-methyl-indole-2-carboxylic acid methyl ester Formula: C13H12BrNO3 MolecularWeight: 310.14328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=C1C(=CC=C2)Br)C)C(=O)OC

Isomeric SMILES

CC(=O)C1=C(N(C2=C1C(=CC=C2)Br)C)C(=O)OC

InChI

InChI=1S/C13H12BrNO3/c1-7(16)10-11-8(14)5-4-6-9(11)15(2)12(10)13(17)18-3/h4-6H,1-3H3