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

Systemtic Name: 2-azanyl-4-(4-bromophenyl)-6-(3,4,5-trimethoxyphenyl)benzene-1,3-dicarbonitrile Openeye Name: 2-amino-4-(4-bromophenyl)-6-(3,4,5-trimethoxyphenyl)benzene-1,3-dicarbonitrile CAS Name: 2-amino-4-(4-bromophenyl)-6-(3,4,5-trimethoxyphenyl)benzene-1,3-dicarbonitrile IUPAC Name: 2-amino-4-(4-bromophenyl)-6-(3,4,5-trimethoxyphenyl)benzene-1,3-dicarbonitrile Traditional Name: 2-amino-4-(4-bromophenyl)-6-(3,4,5-trimethoxyphenyl)isophthalonitrile Formula: C23H18BrN3O3 MolecularWeight: 464.31132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=C(C(=C2)C3=CC=C(C=C3)Br)C#N)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=C(C(=C2)C3=CC=C(C=C3)Br)C#N)N)C#N

InChI

InChI=1S/C23H18BrN3O3/c1-28-20-8-14(9-21(29-2)23(20)30-3)17-10-16(13-4-6-15(24)7-5-13)18(11-25)22(27)19(17)12-26/h4-10H,27H2,1-3H3