ethyl 5-cyano-6-[4-[(2-methyl-3-nitro-phenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-[(2-methyl-3-nitro-phenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(2-methyl-3-nitro-phenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[(2-methyl-3-nitroanilino)-oxomethyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(2-methyl-3-nitrophenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-[(2-methyl-3-nitro-phenyl)carbamoyl]piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C22H21F3N6O5 MolecularWeight: 506.43455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C(F)(F)F

InChI

InChI=1S/C22H21F3N6O5/c1-3-36-20(32)15-11-14(12-26)19(28-18(15)22(23,24)25)29-7-9-30(10-8-29)21(33)27-16-5-4-6-17(13(16)2)31(34)35/h4-6,11H,3,7-10H2,1-2H3,(H,27,33)