4,5-dimethyl-N-(3-methylbutanoyl)-6-nitro-pyridine-3-carboxamide

Systemtic Name: 4,5-dimethyl-N-(3-methylbutanoyl)-6-nitro-pyridine-3-carboxamide Openeye Name: 4,5-dimethyl-N-(3-methylbutanoyl)-6-nitro-pyridine-3-carboxamide CAS Name: 4,5-dimethyl-N-(3-methyl-1-oxobutyl)-6-nitro-3-pyridinecarboxamide IUPAC Name: 4,5-dimethyl-N-(3-methylbutanoyl)-6-nitropyridine-3-carboxamide Traditional Name: N-isovaleryl-4,5-dimethyl-6-nitro-nicotinamide Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1C(=O)NC(=O)CC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=NC=C1C(=O)NC(=O)CC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H17N3O4/c1-7(2)5-11(17)15-13(18)10-6-14-12(16(19)20)9(4)8(10)3/h6-7H,5H2,1-4H3,(H,15,17,18)