2-azanyl-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-propyl-pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-propyl-pyridine-3-carbonitrile Openeye Name: 2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-propyl-pyridine-3-carbonitrile CAS Name: 2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-propyl-3-pyridinecarbonitrile IUPAC Name: 2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-propylpyridine-3-carbonitrile Traditional Name: 2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-propyl-nicotinonitrile Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(C(=C1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)N)C

Isomeric SMILES

CCCC1=C(N=C(C(=C1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)N)C

InChI

InChI=1S/C17H16N4O4/c1-3-4-10-9(2)20-17(19)12(7-18)16(10)11-5-14-15(25-8-24-14)6-13(11)21(22)23/h5-6H,3-4,8H2,1-2H3,(H2,19,20)