(4E)-4-[(4-bromophenyl)carbonylhydrazinylidene]-N,N-bis(cyanomethyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Systemtic Name: (4E)-4-[(4-bromophenyl)carbonylhydrazinylidene]-N,N-bis(cyanomethyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-4-[(4-bromobenzoyl)hydrazono]-N,N-bis(cyanomethyl)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[[(4-bromophenyl)-oxomethyl]hydrazinylidene]-N,N-bis(cyanomethyl)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-4-[(4-bromobenzoyl)hydrazinylidene]-N,N-bis(cyanomethyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-4-[(4-bromobenzoyl)hydrazono]-N,N-bis(cyanomethyl)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C21H18BrN5O3 MolecularWeight: 468.30332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC=C(C=C3)Br)CCC2)C(=O)N(CC#N)CC#N

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC=C(C=C3)Br)/CCC2)C(=O)N(CC#N)CC#N

InChI

InChI=1S/C21H18BrN5O3/c1-13-18-16(25-26-20(28)14-5-7-15(22)8-6-14)3-2-4-17(18)30-19(13)21(29)27(11-9-23)12-10-24/h5-8H,2-4,11-12H2,1H3,(H,26,28)/b25-16+