N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propionamide Formula: C13H18N6O3 MolecularWeight: 306.32042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C)CNC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O3/c1-3-17-9-11(10(2)15-17)8-14-13(20)5-7-18-6-4-12(16-18)19(21)22/h4,6,9H,3,5,7-8H2,1-2H3,(H,14,20)