ethyl 3-(cyanomethyl)-4-iodanyl-indole-1-carboxylate

Systemtic Name: ethyl 3-(cyanomethyl)-4-iodanyl-indole-1-carboxylate Openeye Name: ethyl 3-(cyanomethyl)-4-iodo-indole-1-carboxylate CAS Name: 3-(cyanomethyl)-4-iodo-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(cyanomethyl)-4-iodoindole-1-carboxylate Traditional Name: 3-(cyanomethyl)-4-iodo-indole-1-carboxylic acid ethyl ester Formula: C13H11IN2O2 MolecularWeight: 354.14311

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C2=C1C=CC=C2I)CC#N

Isomeric SMILES

CCOC(=O)N1C=C(C2=C1C=CC=C2I)CC#N

InChI

InChI=1S/C13H11IN2O2/c1-2-18-13(17)16-8-9(6-7-15)12-10(14)4-3-5-11(12)16/h3-5,8H,2,6H2,1H3