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

Systemtic Name: propyl (4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C20H20ClN3O6 MolecularWeight: 433.8423

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C2=C(O1)CCCC2=NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(C\2=C(O1)CCC/C2=N\NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H20ClN3O6/c1-3-9-29-20(26)18-11(2)17-14(5-4-6-16(17)30-18)22-23-19(25)12-7-8-13(21)15(10-12)24(27)28/h7-8,10H,3-6,9H2,1-2H3,(H,23,25)/b22-14+