2-[[2,3,5-tris(bromanyl)-4-cyano-pyrrol-1-yl]methyl]benzamide

Systemtic Name: 2-[[2,3,5-tris(bromanyl)-4-cyano-pyrrol-1-yl]methyl]benzamide Openeye Name: 2-[(2,3,5-tribromo-4-cyano-pyrrol-1-yl)methyl]benzamide CAS Name: 2-[(2,3,5-tribromo-4-cyano-1-pyrrolyl)methyl]benzamide IUPAC Name: 2-[(2,3,5-tribromo-4-cyanopyrrol-1-yl)methyl]benzamide Traditional Name: 2-[(2,3,5-tribromo-4-cyano-pyrrol-1-yl)methyl]benzamide Formula: C13H8Br3N3O MolecularWeight: 461.93412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=C(C(=C2Br)Br)C#N)Br)C(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=C(C(=C2Br)Br)C#N)Br)C(=O)N

InChI

InChI=1S/C13H8Br3N3O/c14-10-9(5-17)11(15)19(12(10)16)6-7-3-1-2-4-8(7)13(18)20/h1-4H,6H2,(H2,18,20)