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

Systemtic Name: (4-methoxycarbonylphenyl) (4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl) (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 (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) (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 (4-carbomethoxyphenyl) ester Formula: C25H20ClN3O8 MolecularWeight: 525.8946

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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=C(C=C4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN3O8/c1-13-21-18(27-28-23(30)15-8-11-17(26)19(12-15)29(33)34)4-3-5-20(21)37-22(13)25(32)36-16-9-6-14(7-10-16)24(31)35-2/h6-12H,3-5H2,1-2H3,(H,28,30)/b27-18+