2-oxidanylidenepropyl 5-bromanyl-3-methyl-1H-indole-2-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 5-bromanyl-3-methyl-1H-indole-2-carboxylate Openeye Name: acetonyl 5-bromo-3-methyl-1H-indole-2-carboxylate CAS Name: 5-bromo-3-methyl-1H-indole-2-carboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 5-bromo-3-methyl-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-methyl-1H-indole-2-carboxylic acid acetonyl ester Formula: C13H12BrNO3 MolecularWeight: 310.14328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C

InChI

InChI=1S/C13H12BrNO3/c1-7(16)6-18-13(17)12-8(2)10-5-9(14)3-4-11(10)15-12/h3-5,15H,6H2,1-2H3