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

Systemtic Name: pyridin-3-yl (4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: 3-pyridyl (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 3-pyridinyl ester IUPAC Name: pyridin-3-yl (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 3-pyridyl ester Formula: C22H17ClN4O6 MolecularWeight: 468.84658

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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=CN=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=CN=CC=C4

InChI

InChI=1S/C22H17ClN4O6/c1-12-19-16(25-26-21(28)13-7-8-15(23)17(10-13)27(30)31)5-2-6-18(19)33-20(12)22(29)32-14-4-3-9-24-11-14/h3-4,7-11H,2,5-6H2,1H3,(H,26,28)/b25-16+