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

Systemtic Name: phenyl (4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: phenyl (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid phenyl ester IUPAC Name: phenyl (4E)-4-[(4-chloro-3-nitrobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid phenyl ester Formula: C23H18ClN3O6 MolecularWeight: 467.85852

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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)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/CCC2)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H18ClN3O6/c1-13-20-17(25-26-22(28)14-10-11-16(24)18(12-14)27(30)31)8-5-9-19(20)33-21(13)23(29)32-15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,26,28)/b25-17+