3-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-[(2-ethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: 3-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-[(2-ethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-[(2-ethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-[(4-bromo-5-methyl-3-nitro-1-pyrazolyl)methyl]-N-[(2-ethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-N-[(2-ethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-(2-ethoxybenzyl)-1,2,4-oxadiazole-5-carboxamide Formula: C17H17BrN6O5 MolecularWeight: 465.25808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=NC(=NO2)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=NC(=NO2)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C17H17BrN6O5/c1-3-28-12-7-5-4-6-11(12)8-19-16(25)17-20-13(22-29-17)9-23-10(2)14(18)15(21-23)24(26)27/h4-7H,3,8-9H2,1-2H3,(H,19,25)