2-(butylamino)-4-(methoxymethyl)-6-methyl-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-(butylamino)-4-(methoxymethyl)-6-methyl-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-(butylamino)-4-(methoxymethyl)-6-methyl-5-nitro-pyridine-3-carbonitrile CAS Name: 2-(butylamino)-4-(methoxymethyl)-6-methyl-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-(butylamino)-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile Traditional Name: 2-(butylamino)-4-(methoxymethyl)-6-methyl-5-nitro-nicotinonitrile Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=C(C(=C1C#N)COC)[N+](=O)[O-])C

Isomeric SMILES

CCCCNC1=NC(=C(C(=C1C#N)COC)[N+](=O)[O-])C

InChI

InChI=1S/C13H18N4O3/c1-4-5-6-15-13-10(7-14)11(8-20-3)12(17(18)19)9(2)16-13/h4-6,8H2,1-3H3,(H,15,16)