tert-butyl 3-(2-cyanoethanoyl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2-cyanoethanoyl)indole-1-carboxylate Openeye Name: tert-butyl 3-(2-cyanoacetyl)indole-1-carboxylate CAS Name: 3-(2-cyano-1-oxoethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-cyanoacetyl)indole-1-carboxylate Traditional Name: 3-(2-cyanoacetyl)indole-1-carboxylic acid tert-butyl ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(=O)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(=O)CC#N

InChI

InChI=1S/C16H16N2O3/c1-16(2,3)21-15(20)18-10-12(14(19)8-9-17)11-6-4-5-7-13(11)18/h4-7,10H,8H2,1-3H3