ethyl 6-azanyl-4-(butylamino)-2-methyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(butylamino)-2-methyl-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 6-amino-4-(butylamino)-2-methyl-5-nitro-pyridine-3-carboxylate CAS Name: 6-amino-4-(butylamino)-2-methyl-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(butylamino)-2-methyl-5-nitropyridine-3-carboxylate Traditional Name: 6-amino-4-(butylamino)-2-methyl-5-nitro-nicotinic acid ethyl ester Formula: C13H20N4O4 MolecularWeight: 296.3223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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