[5-chloranyl-2-(2,2-dicyano-1-phenyl-ethyl)-1-ethanoyl-indol-3-yl] ethanoate

Systemtic Name: [5-chloranyl-2-(2,2-dicyano-1-phenyl-ethyl)-1-ethanoyl-indol-3-yl] ethanoate Openeye Name: [1-acetyl-5-chloro-2-(2,2-dicyano-1-phenyl-ethyl)indol-3-yl] acetate CAS Name: acetic acid [1-acetyl-5-chloro-2-(2,2-dicyano-1-phenylethyl)-3-indolyl] ester IUPAC Name: [1-acetyl-5-chloro-2-(2,2-dicyano-1-phenylethyl)indol-3-yl] acetate Traditional Name: acetic acid [1-acetyl-5-chloro-2-(2,2-dicyano-1-phenyl-ethyl)indol-3-yl] ester Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(C=C(C=C2)Cl)C(=C1C(C3=CC=CC=C3)C(C#N)C#N)OC(=O)C

Isomeric SMILES

CC(=O)N1C2=C(C=C(C=C2)Cl)C(=C1C(C3=CC=CC=C3)C(C#N)C#N)OC(=O)C

InChI

InChI=1S/C22H16ClN3O3/c1-13(27)26-19-9-8-17(23)10-18(19)22(29-14(2)28)21(26)20(16(11-24)12-25)15-6-4-3-5-7-15/h3-10,16,20H,1-2H3