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

Systemtic Name: (4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3-methyl-N-(3-methylbutyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-N-isopentyl-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazinylidene]-3-methyl-N-(3-methylbutyl)-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-4-[(4-chloro-3-nitrobenzoyl)hydrazinylidene]-3-methyl-N-(3-methylbutyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-N-isoamyl-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C22H25ClN4O5 MolecularWeight: 460.9107

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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)NCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O5/c1-12(2)9-10-24-22(29)20-13(3)19-16(5-4-6-18(19)32-20)25-26-21(28)14-7-8-15(23)17(11-14)27(30)31/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,24,29)(H,26,28)/b25-16+