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

Systemtic Name: 2-azanyl-6-(4-bromophenyl)-5-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Openeye Name: 2-amino-6-(4-bromophenyl)-5-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile CAS Name: 2-amino-6-(4-bromophenyl)-5-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-6-(4-bromophenyl)-5-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile Traditional Name: 2-amino-6-(4-bromophenyl)-5-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)nicotinonitrile Formula: C20H13BrN4O4 MolecularWeight: 453.24562

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN4O4/c1-10-18(13-6-16-17(29-9-28-16)7-15(13)25(26)27)14(8-22)20(23)24-19(10)11-2-4-12(21)5-3-11/h2-7H,9H2,1H3,(H2,23,24)