N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C13H18N6O3 MolecularWeight: 306.32042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN(N=C1C)C)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NCC1=CN(N=C1C)C)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O3/c1-4-12(18-8-11(6-15-18)19(21)22)13(20)14-5-10-7-17(3)16-9(10)2/h6-8,12H,4-5H2,1-3H3,(H,14,20)