N-(2-bromanyl-4-nitro-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C13H12BrN5O5 MolecularWeight: 398.16888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN5O5/c1-7-13(19(23)24)8(2)17(16-7)6-12(20)15-11-4-3-9(18(21)22)5-10(11)14/h3-5H,6H2,1-2H3,(H,15,20)