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

Systemtic Name: 4-(butylamino)-6-(ethylamino)-2-methyl-5-nitro-pyridine-3-carboxylic acid Openeye Name: 4-(butylamino)-6-(ethylamino)-2-methyl-5-nitro-pyridine-3-carboxylic acid CAS Name: 4-(butylamino)-6-(ethylamino)-2-methyl-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 4-(butylamino)-6-(ethylamino)-2-methyl-5-nitropyridine-3-carboxylic acid Traditional Name: 4-(butylamino)-6-(ethylamino)-2-methyl-5-nitro-nicotinic acid Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O4/c1-4-6-7-15-10-9(13(18)19)8(3)16-12(14-5-2)11(10)17(20)21/h4-7H2,1-3H3,(H,18,19)(H2,14,15,16)