2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-methylpent-1-yn-3-yl)propanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-methylpent-1-yn-3-yl)propanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(1-ethyl-1-methyl-prop-2-ynyl)propanamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(3-methylpent-1-yn-3-yl)propanamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3-methylpent-1-yn-3-yl)propanamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(1-ethyl-1-methyl-prop-2-ynyl)propionamide Formula: C13H17BrN4O3 MolecularWeight: 357.20308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)NC(=O)C(C)N1C(=C(C(=N1)[N+](=O)[O-])Br)C

Isomeric SMILES

CCC(C)(C#C)NC(=O)C(C)N1C(=C(C(=N1)[N+](=O)[O-])Br)C

InChI

InChI=1S/C13H17BrN4O3/c1-6-13(5,7-2)15-12(19)9(4)17-8(3)10(14)11(16-17)18(20)21/h1,9H,7H2,2-5H3,(H,15,19)