2-azanyl-6-[4-(2-methylpropyl)phenyl]-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-6-[4-(2-methylpropyl)phenyl]-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Openeye Name: 2-amino-6-(4-isobutylphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile CAS Name: 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(6-nitro-1,3-benzodioxol-5-yl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Traditional Name: 2-amino-6-(4-isobutylphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)nicotinonitrile Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O4/c1-13(2)7-14-3-5-15(6-4-14)19-8-16(18(11-24)23(25)26-19)17-9-21-22(31-12-30-21)10-20(17)27(28)29/h3-6,8-10,13H,7,12H2,1-2H3,(H2,25,26)