[1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3-cyano-propan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3-cyano-propan-2-yl] 3-nitrobenzoate Openeye Name: [1-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]methyl]-2-cyano-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] ester IUPAC Name: [1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-cyanopropan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [1-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]methyl]-2-cyano-ethyl] ester Formula: C17H12ClF3N4O4 MolecularWeight: 428.74979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C17H12ClF3N4O4/c18-14-7-11(17(19,20)21)8-23-15(14)24-9-13(4-5-22)29-16(26)10-2-1-3-12(6-10)25(27)28/h1-3,6-8,13H,4,9H2,(H,23,24)