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

Systemtic Name: 2-azanyl-6-(3,4-dimethoxyphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Openeye Name: 2-amino-6-(3,4-dimethoxyphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile CAS Name: 2-amino-6-(3,4-dimethoxyphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-6-(3,4-dimethoxyphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Traditional Name: 2-amino-6-(3,4-dimethoxyphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)nicotinonitrile Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)N)OC

InChI

InChI=1S/C21H16N4O6/c1-28-17-4-3-11(5-18(17)29-2)15-6-12(14(9-22)21(23)24-15)13-7-19-20(31-10-30-19)8-16(13)25(26)27/h3-8H,10H2,1-2H3,(H2,23,24)