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

Systemtic Name: 2-azanyl-5-(2-methoxyphenyl)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Openeye Name: 2-amino-5-(2-methoxyphenyl)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile CAS Name: 2-amino-5-(2-methoxyphenyl)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-5-(2-methoxyphenyl)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Traditional Name: 2-amino-5-(2-methoxyphenyl)-6-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(C(=C(C(=N1)N)C#N)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)N)C#N)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4OC

InChI

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