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

Systemtic Name: 2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(4-propylphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(4-propylphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(4-propylphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(4-propylphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(4-propylphenyl)nicotinonitrile Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)N

InChI

InChI=1S/C22H18N4O4/c1-2-3-13-4-6-14(7-5-13)18-8-15(17(11-23)22(24)25-18)16-9-20-21(30-12-29-20)10-19(16)26(27)28/h4-10H,2-3,12H2,1H3,(H2,24,25)