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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

InChI

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