methyl 1-[[(4E)-3-methyl-4-[(3-nitrophenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[(4E)-3-methyl-4-[(3-nitrophenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(4E)-3-methyl-4-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carbonyl]isonipecotic acid methyl ester Formula: C24H26N4O7 MolecularWeight: 482.48584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CCC2)C(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/CCC2)C(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C24H26N4O7/c1-14-20-18(25-26-22(29)16-5-3-6-17(13-16)28(32)33)7-4-8-19(20)35-21(14)23(30)27-11-9-15(10-12-27)24(31)34-2/h3,5-6,13,15H,4,7-12H2,1-2H3,(H,26,29)/b25-18+