1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(furan-2-ylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(furan-2-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2-furylmethyl)piperazine; oxalic acid CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2-furanylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(furan-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(2-furfuryl)piperazine; oxalic acid Formula: C20H25N3O9 MolecularWeight: 451.4272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)CC3=CC=CO3)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)CC3=CC=CO3)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O5.C2H2O4/c1-24-17-10-14(16(21(22)23)11-18(17)25-2)12-19-5-7-20(8-6-19)13-15-4-3-9-26-15;3-1(4)2(5)6/h3-4,9-11H,5-8,12-13H2,1-2H3;(H,3,4)(H,5,6)