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

Systemtic Name: 2-azanyl-6-(2,5-dimethylphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Openeye Name: 2-amino-6-(2,5-dimethylphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile CAS Name: 2-amino-6-(2,5-dimethylphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-6-(2,5-dimethylphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Traditional Name: 2-amino-6-(2,5-dimethylphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)nicotinonitrile Formula: C21H16N4O4 MolecularWeight: 388.37614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC(=C(C(=C2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC(=C(C(=C2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)N

InChI

InChI=1S/C21H16N4O4/c1-11-3-4-12(2)13(5-11)17-6-14(16(9-22)21(23)24-17)15-7-19-20(29-10-28-19)8-18(15)25(26)27/h3-8H,10H2,1-2H3,(H2,23,24)