ethyl 3-(2-cyano-3-methoxy-3-oxidanylidene-propyl)-4-iodanyl-indole-1-carboxylate

Systemtic Name: ethyl 3-(2-cyano-3-methoxy-3-oxidanylidene-propyl)-4-iodanyl-indole-1-carboxylate Openeye Name: ethyl 3-(2-cyano-3-methoxy-3-oxo-propyl)-4-iodo-indole-1-carboxylate CAS Name: 3-(2-cyano-3-methoxy-3-oxopropyl)-4-iodo-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-cyano-3-methoxy-3-oxopropyl)-4-iodoindole-1-carboxylate Traditional Name: 3-(2-cyano-3-keto-3-methoxy-propyl)-4-iodo-indole-1-carboxylic acid ethyl ester Formula: C16H15IN2O4 MolecularWeight: 426.20577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15IN2O4/c1-3-23-16(21)19-9-11(7-10(8-18)15(20)22-2)14-12(17)5-4-6-13(14)19/h4-6,9-10H,3,7H2,1-2H3