dimethyl 2-cyclopropyl-4-[4-(hydroxymethyl)phenyl]-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate

Systemtic Name: dimethyl 2-cyclopropyl-4-[4-(hydroxymethyl)phenyl]-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 2-cyclopropyl-4-[4-(hydroxymethyl)phenyl]-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylate CAS Name: 2-cyclopropyl-4-[4-(hydroxymethyl)phenyl]-1-[(5-nitro-2-furanyl)methyl]-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-cyclopropyl-4-[4-(hydroxymethyl)phenyl]-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Traditional Name: 2-cyclopropyl-4-(4-methylolphenyl)-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C26H26N2O8 MolecularWeight: 494.49324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=CC=C(O2)[N+](=O)[O-])C3CC3)C4=CC=C(C=C4)CO

Isomeric SMILES

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=CC=C(O2)[N+](=O)[O-])C3CC3)C4=CC=C(C=C4)CO

InChI

InChI=1S/C26H26N2O8/c1-34-25(30)21-11-19(17-5-3-16(15-29)4-6-17)12-23(18-7-8-18)27(14-22(21)26(31)35-2)13-20-9-10-24(36-20)28(32)33/h3-6,9-12,14,18,23,29H,7-8,13,15H2,1-2H3