2-cyanoethyl [2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] carbonate

Systemtic Name: 2-cyanoethyl [2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] carbonate Openeye Name: 2-cyanoethyl [2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] carbonate CAS Name: carbonic acid 2-cyanoethyl [2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] ester IUPAC Name: 2-cyanoethyl [2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] carbonate Traditional Name: carbonic acid 2-cyanoethyl [2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] ester Formula: C18H16F3N3O5 MolecularWeight: 411.33195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)OC(=O)OCCC#N)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)OC(=O)OCCC#N)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N3O5/c1-10-15(24(26)27)14(12-6-3-4-7-13(12)18(19,20)21)16(11(2)23-10)29-17(25)28-9-5-8-22/h3-4,6-7,14,23H,5,9H2,1-2H3