3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[(1,3-dimethyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propionamide Formula: C12H15BrN6O3 MolecularWeight: 371.1899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C12H15BrN6O3/c1-8-9(6-17(2)15-8)5-14-11(20)3-4-18-7-10(13)12(16-18)19(21)22/h6-7H,3-5H2,1-2H3,(H,14,20)