1-(2-cyanoethyl)-3-[4-(2-fluoranyl-4-nitro-phenoxy)pyridin-2-yl]-1-methyl-urea

Systemtic Name: 1-(2-cyanoethyl)-3-[4-(2-fluoranyl-4-nitro-phenoxy)pyridin-2-yl]-1-methyl-urea Openeye Name: 1-(2-cyanoethyl)-3-[4-(2-fluoro-4-nitro-phenoxy)-2-pyridyl]-1-methyl-urea CAS Name: 1-(2-cyanoethyl)-3-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-1-methylurea IUPAC Name: 1-(2-cyanoethyl)-3-[4-(2-fluoro-4-nitrophenoxy)pyridin-2-yl]-1-methylurea Traditional Name: 1-(2-cyanoethyl)-3-[4-(2-fluoro-4-nitro-phenoxy)-2-pyridyl]-1-methyl-urea Formula: C16H14FN5O4 MolecularWeight: 359.311863

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)NC1=NC=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

CN(CCC#N)C(=O)NC1=NC=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C16H14FN5O4/c1-21(8-2-6-18)16(23)20-15-10-12(5-7-19-15)26-14-4-3-11(22(24)25)9-13(14)17/h3-5,7,9-10H,2,8H2,1H3,(H,19,20,23)