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

Systemtic Name: N-[[2,3,5-tris(bromanyl)-4-cyano-pyrrol-1-yl]methyl]benzamide Openeye Name: N-[(2,3,5-tribromo-4-cyano-pyrrol-1-yl)methyl]benzamide CAS Name: N-[(2,3,5-tribromo-4-cyano-1-pyrrolyl)methyl]benzamide IUPAC Name: N-[(2,3,5-tribromo-4-cyanopyrrol-1-yl)methyl]benzamide Traditional Name: N-[(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)C(=O)NCN2C(=C(C(=C2Br)Br)C#N)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCN2C(=C(C(=C2Br)Br)C#N)Br

InChI

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