N-(3-methylbutanoyl)-5-nitro-pyridine-3-carboxamide

Systemtic Name: N-(3-methylbutanoyl)-5-nitro-pyridine-3-carboxamide Openeye Name: N-(3-methylbutanoyl)-5-nitro-pyridine-3-carboxamide CAS Name: N-(3-methyl-1-oxobutyl)-5-nitro-3-pyridinecarboxamide IUPAC Name: N-(3-methylbutanoyl)-5-nitropyridine-3-carboxamide Traditional Name: N-isovaleryl-5-nitro-nicotinamide Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=O)C1=CC(=CN=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC(=O)C1=CC(=CN=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O4/c1-7(2)3-10(15)13-11(16)8-4-9(14(17)18)6-12-5-8/h4-7H,3H2,1-2H3,(H,13,15,16)