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

Systemtic Name: (4E)-N,N-bis(cyanomethyl)-3-methyl-4-[(3-nitrophenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-N,N-bis(cyanomethyl)-3-methyl-4-[(3-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-N,N-bis(cyanomethyl)-3-methyl-4-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-N,N-bis(cyanomethyl)-3-methyl-4-[(3-nitrobenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-N,N-bis(cyanomethyl)-3-methyl-4-[(3-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C21H18N6O5 MolecularWeight: 434.40482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CCC2)C(=O)N(CC#N)CC#N

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/CCC2)C(=O)N(CC#N)CC#N

InChI

InChI=1S/C21H18N6O5/c1-13-18-16(24-25-20(28)14-4-2-5-15(12-14)27(30)31)6-3-7-17(18)32-19(13)21(29)26(10-8-22)11-9-23/h2,4-5,12H,3,6-7,10-11H2,1H3,(H,25,28)/b24-16+