ethyl 1-[6-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H18ClF3N6O4 MolecularWeight: 474.82153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClF3N6O4/c1-2-32-17(29)10-4-3-5-27(8-10)16-13(28(30)31)15(24-9-25-16)26-14-12(19)6-11(7-23-14)18(20,21)22/h6-7,9-10H,2-5,8H2,1H3,(H,23,24,25,26)