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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C3=CC(=NC(=C3C#N)N)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C3=CC(=NC(=C3C#N)N)C4=CC=CC=N4)[N+](=O)[O-]

InChI

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