2-azanyl-4-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)buta-1,3-diene-1,1,3-tricarbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)buta-1,3-diene-1,1,3-tricarbonitrile Openeye Name: 2-amino-4-(4-benzyloxy-3-bromo-5-ethoxy-phenyl)buta-1,3-diene-1,1,3-tricarbonitrile CAS Name: 2-amino-4-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile IUPAC Name: 2-amino-4-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile Traditional Name: 2-amino-4-(4-benzoxy-3-bromo-5-ethoxy-phenyl)buta-1,3-diene-1,1,3-tricarbonitrile Formula: C22H17BrN4O2 MolecularWeight: 449.29998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=C(C#N)C#N)N)Br)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=C(C#N)C#N)N)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C22H17BrN4O2/c1-2-28-20-10-16(8-17(11-24)21(27)18(12-25)13-26)9-19(23)22(20)29-14-15-6-4-3-5-7-15/h3-10H,2,14,27H2,1H3