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

Systemtic Name: ethyl 6-[azanyl(methyl)amino]-4-(butylamino)-2-methyl-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 6-[amino(methyl)amino]-4-(butylamino)-2-methyl-5-nitro-pyridine-3-carboxylate CAS Name: 6-[amino(methyl)amino]-4-(butylamino)-2-methyl-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[amino(methyl)amino]-4-(butylamino)-2-methyl-5-nitropyridine-3-carboxylate Traditional Name: 6-[amino(methyl)amino]-4-(butylamino)-2-methyl-5-nitro-nicotinic acid ethyl ester Formula: C14H23N5O4 MolecularWeight: 325.36352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N5O4/c1-5-7-8-16-11-10(14(20)23-6-2)9(3)17-13(18(4)15)12(11)19(21)22/h5-8,15H2,1-4H3,(H,16,17)