[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-methyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-methyl-5-nitro-pyridine-3-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-methyl-5-nitro-pyridine-3-carboxylate CAS Name: 2-methyl-5-nitro-3-pyridinecarboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-methyl-5-nitropyridine-3-carboxylate Traditional Name: 2-methyl-5-nitro-nicotinic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C13H15N7O4 MolecularWeight: 333.3027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)OCC2=NC(=NC(=N2)N(C)C)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)OCC2=NC(=NC(=N2)N(C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N7O4/c1-7-9(4-8(5-15-7)20(22)23)11(21)24-6-10-16-12(14)18-13(17-10)19(2)3/h4-5H,6H2,1-3H3,(H2,14,16,17,18)