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

Systemtic Name: 2-azanyl-6-(3-methoxyphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Openeye Name: 2-amino-6-(3-methoxyphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile CAS Name: 2-amino-6-(3-methoxyphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-6-(3-methoxyphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Traditional Name: 2-amino-6-(3-methoxyphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)nicotinonitrile Formula: C20H14N4O5 MolecularWeight: 390.34896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O5/c1-27-12-4-2-3-11(5-12)16-6-13(15(9-21)20(22)23-16)14-7-18-19(29-10-28-18)8-17(14)24(25)26/h2-8H,10H2,1H3,(H2,22,23)