2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)benzene-1,3-dicarbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)benzene-1,3-dicarbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)benzene-1,3-dicarbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)benzene-1,3-dicarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)benzene-1,3-dicarbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)isophthalonitrile Formula: C21H12BrN3O2 MolecularWeight: 418.24288

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=C(C(=C3)C4=CC=C(C=C4)Br)C#N)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=C(C(=C3)C4=CC=C(C=C4)Br)C#N)N)C#N

InChI

InChI=1S/C21H12BrN3O2/c22-14-4-1-12(2-5-14)15-8-16(18(10-24)21(25)17(15)9-23)13-3-6-19-20(7-13)27-11-26-19/h1-8H,11,25H2