2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-methoxy-5-nitro-phenyl)ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(3-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-methoxy-5-nitro-phenyl)acetamide Formula: C13H12BrN5O6 MolecularWeight: 414.16828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)OC)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)OC)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C13H12BrN5O6/c1-7-12(14)13(19(23)24)16-17(7)6-11(20)15-8-3-9(18(21)22)5-10(4-8)25-2/h3-5H,6H2,1-2H3,(H,15,20)