[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C19H14ClN3O3 MolecularWeight: 367.78576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)COC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)COC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C19H14ClN3O3/c20-18-7-6-13(10-22-18)19(25)26-12-17(24)15-11-23(9-3-8-21)16-5-2-1-4-14(15)16/h1-2,4-7,10-11H,3,9,12H2