1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide Openeye Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide CAS Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-(2-hydroxyethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide Traditional Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide Formula: C13H13FN4O5 MolecularWeight: 324.264523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)OCN2C=CC(=N2)C(=O)NCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)OCN2C=CC(=N2)C(=O)NCCO)[N+](=O)[O-]

InChI

InChI=1S/C13H13FN4O5/c14-9-1-2-11(18(21)22)12(7-9)23-8-17-5-3-10(16-17)13(20)15-4-6-19/h1-3,5,7,19H,4,6,8H2,(H,15,20)