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

Systemtic Name: 2-azanyl-6-(4-methoxyphenyl)-5-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Openeye Name: 2-amino-6-(4-methoxyphenyl)-5-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile CAS Name: 2-amino-6-(4-methoxyphenyl)-5-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-6-(4-methoxyphenyl)-5-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Traditional Name: 2-amino-6-(4-methoxyphenyl)-5-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)nicotinonitrile Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N=C(C(=C1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H16N4O5/c1-11-19(14-7-17-18(30-10-29-17)8-16(14)25(26)27)15(9-22)21(23)24-20(11)12-3-5-13(28-2)6-4-12/h3-8H,10H2,1-2H3,(H2,23,24)