2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(isopentylcarbamoyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(isoamylcarbamoyl)acetamide Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(=O)NCCC(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC(=O)NCCC(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H21N5O4/c1-8(2)5-6-14-13(20)15-11(19)7-17-10(4)12(18(21)22)9(3)16-17/h8H,5-7H2,1-4H3,(H2,14,15,19,20)