dimethyl 2-cyclopropyl-1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate

Systemtic Name: dimethyl 2-cyclopropyl-1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 2-cyclopropyl-4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylate CAS Name: 2-cyclopropyl-4-(3-hydroxypropyl)-1-[(5-nitro-2-furanyl)methyl]-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-cyclopropyl-4-(3-hydroxypropyl)-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Traditional Name: 2-cyclopropyl-4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C22H26N2O8 MolecularWeight: 446.45044

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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)CCCO

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O8/c1-30-21(26)17-10-14(4-3-9-25)11-19(15-5-6-15)23(13-18(17)22(27)31-2)12-16-7-8-20(32-16)24(28)29/h7-8,10-11,13,15,19,25H,3-6,9,12H2,1-2H3