tert-butyl 5-bromanyl-3-[(E)-3-oxidanylidenebut-1-enyl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-3-[(E)-3-oxidanylidenebut-1-enyl]indole-1-carboxylate Openeye Name: tert-butyl 5-bromo-3-[(E)-3-oxobut-1-enyl]indole-1-carboxylate CAS Name: 5-bromo-3-[(E)-3-oxobut-1-enyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-[(E)-3-oxobut-1-enyl]indole-1-carboxylate Traditional Name: 5-bromo-3-[(E)-3-ketobut-1-enyl]indole-1-carboxylic acid tert-butyl ester Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CN(C2=C1C=C(C=C2)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)/C=C/C1=CN(C2=C1C=C(C=C2)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H18BrNO3/c1-11(20)5-6-12-10-19(16(21)22-17(2,3)4)15-8-7-13(18)9-14(12)15/h5-10H,1-4H3/b6-5+