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

Systemtic Name: 2-azanyl-5-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-propyl-pyridine-3-carbonitrile Openeye Name: 2-amino-5-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-propyl-pyridine-3-carbonitrile CAS Name: 2-amino-5-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-propyl-3-pyridinecarbonitrile IUPAC Name: 2-amino-5-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-propylpyridine-3-carbonitrile Traditional Name: 2-amino-5-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-propyl-nicotinonitrile Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=N1)N)C#N)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC

Isomeric SMILES

CCCC1=C(C(=C(C(=N1)N)C#N)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC

InChI

InChI=1S/C18H18N4O4/c1-3-5-13-10(4-2)17(12(8-19)18(20)21-13)11-6-15-16(26-9-25-15)7-14(11)22(23)24/h6-7H,3-5,9H2,1-2H3,(H2,20,21)