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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-pyridin-1-ium-4-yl-ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-pyridin-1-ium-4-yl-acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(4-pyridin-1-iumyl)acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-1-ium-4-ylacetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-pyridin-1-ium-4-yl-acetamide Formula: C12H14N5O3+ MolecularWeight: 276.27126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=[NH+]C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=[NH+]C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3/c1-8-12(17(19)20)9(2)16(15-8)7-11(18)14-10-3-5-13-6-4-10/h3-6H,7H2,1-2H3,(H,13,14,18)/p+1