tert-butyl 5-(2-bromanylprop-2-enoylamino)-1-methyl-indole-2-carboxylate

Systemtic Name: tert-butyl 5-(2-bromanylprop-2-enoylamino)-1-methyl-indole-2-carboxylate Openeye Name: tert-butyl 5-(2-bromoprop-2-enoylamino)-1-methyl-indole-2-carboxylate CAS Name: 5-[(2-bromo-1-oxoprop-2-enyl)amino]-1-methyl-2-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2-bromoprop-2-enoylamino)-1-methylindole-2-carboxylate Traditional Name: 5-[(2-bromoacryloyl)amino]-1-methyl-indole-2-carboxylic acid tert-butyl ester Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(N1C)C=CC(=C2)NC(=O)C(=C)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(N1C)C=CC(=C2)NC(=O)C(=C)Br

InChI

InChI=1S/C17H19BrN2O3/c1-10(18)15(21)19-12-6-7-13-11(8-12)9-14(20(13)5)16(22)23-17(2,3)4/h6-9H,1H2,2-5H3,(H,19,21)