5-(2-bromanylprop-2-enoylamino)-1-methyl-indole-2-carboxylic acid

Systemtic Name: 5-(2-bromanylprop-2-enoylamino)-1-methyl-indole-2-carboxylic acid Openeye Name: 5-(2-bromoprop-2-enoylamino)-1-methyl-indole-2-carboxylic acid CAS Name: 5-[(2-bromo-1-oxoprop-2-enyl)amino]-1-methyl-2-indolecarboxylic acid IUPAC Name: 5-(2-bromoprop-2-enoylamino)-1-methylindole-2-carboxylic acid Traditional Name: 5-[(2-bromoacryloyl)amino]-1-methyl-indole-2-carboxylic acid Formula: C13H11BrN2O3 MolecularWeight: 323.14204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C(=C)Br)C=C1C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C(=C)Br)C=C1C(=O)O

InChI

InChI=1S/C13H11BrN2O3/c1-7(14)12(17)15-9-3-4-10-8(5-9)6-11(13(18)19)16(10)2/h3-6H,1H2,2H3,(H,15,17)(H,18,19)