4-(butylamino)-2-methyl-6-(2-methylpropylamino)-5-nitro-pyridine-3-carboxylic acid

Systemtic Name: 4-(butylamino)-2-methyl-6-(2-methylpropylamino)-5-nitro-pyridine-3-carboxylic acid Openeye Name: 4-(butylamino)-6-(isobutylamino)-2-methyl-5-nitro-pyridine-3-carboxylic acid CAS Name: 4-(butylamino)-2-methyl-6-(2-methylpropylamino)-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 4-(butylamino)-2-methyl-6-(2-methylpropylamino)-5-nitropyridine-3-carboxylic acid Traditional Name: 4-(butylamino)-6-(isobutylamino)-2-methyl-5-nitro-nicotinic acid Formula: C15H24N4O4 MolecularWeight: 324.37546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC(=C1[N+](=O)[O-])NCC(C)C)C)C(=O)O

Isomeric SMILES

CCCCNC1=C(C(=NC(=C1[N+](=O)[O-])NCC(C)C)C)C(=O)O

InChI

InChI=1S/C15H24N4O4/c1-5-6-7-16-12-11(15(20)21)10(4)18-14(13(12)19(22)23)17-8-9(2)3/h9H,5-8H2,1-4H3,(H,20,21)(H2,16,17,18)