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

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)ethanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)acetamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(4-methyl-3,5-dinitrophenyl)acetamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3,5-dinitrophenyl)acetamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)acetamide Formula: C14H14BrN5O5 MolecularWeight: 412.19546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)CN2C(=C(C(=N2)C)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)CN2C(=C(C(=N2)C)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14BrN5O5/c1-7-11(19(22)23)4-10(5-12(7)20(24)25)16-13(21)6-18-9(3)14(15)8(2)17-18/h4-5H,6H2,1-3H3,(H,16,21)