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

Systemtic Name: 2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(3-pyridyl)nicotinonitrile Formula: C18H11N5O4 MolecularWeight: 361.31104

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C3=CC(=NC(=C3C#N)N)C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C3=CC(=NC(=C3C#N)N)C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N5O4/c19-7-13-11(4-14(22-18(13)20)10-2-1-3-21-8-10)12-5-16-17(27-9-26-16)6-15(12)23(24)25/h1-6,8H,9H2,(H2,20,22)