N-(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)-4-nitro-benzamide

Systemtic Name: N-(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)-4-nitro-benzamide Openeye Name: N-(4-bromo-2,5-dimethyl-pyrazol-3-yl)-4-nitro-benzamide CAS Name: N-(4-bromo-2,5-dimethyl-3-pyrazolyl)-4-nitrobenzamide IUPAC Name: N-(4-bromo-2,5-dimethylpyrazol-3-yl)-4-nitrobenzamide Traditional Name: N-(4-bromo-2,5-dimethyl-pyrazol-3-yl)-4-nitro-benzamide Formula: C12H11BrN4O3 MolecularWeight: 339.14474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1Br)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H11BrN4O3/c1-7-10(13)11(16(2)15-7)14-12(18)8-3-5-9(6-4-8)17(19)20/h3-6H,1-2H3,(H,14,18)