(4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3-methyl-N-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Systemtic Name: (4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3-methyl-N-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-3-methyl-N-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazinylidene]-3-methyl-N-(4-methyl-1-piperazinyl)-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-4-[(4-chloro-3-nitrobenzoyl)hydrazinylidene]-3-methyl-N-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-3-methyl-N-(4-methylpiperazino)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C22H25ClN6O5 MolecularWeight: 488.9241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CCC2)C(=O)NN4CCN(CC4)C

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/CCC2)C(=O)NN4CCN(CC4)C

InChI

InChI=1S/C22H25ClN6O5/c1-13-19-16(24-25-21(30)14-6-7-15(23)17(12-14)29(32)33)4-3-5-18(19)34-20(13)22(31)26-28-10-8-27(2)9-11-28/h6-7,12H,3-5,8-11H2,1-2H3,(H,25,30)(H,26,31)/b24-16+