1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(3-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(3-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(3-pyridylmethyl)piperazine; oxalic acid Formula: C21H26N4O8 MolecularWeight: 462.45314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)CC3=CN=CC=C3)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)CC3=CN=CC=C3)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N4O4.C2H2O4/c1-26-18-10-16(17(23(24)25)11-19(18)27-2)14-22-8-6-21(7-9-22)13-15-4-3-5-20-12-15;3-1(4)2(5)6/h3-5,10-12H,6-9,13-14H2,1-2H3;(H,3,4)(H,5,6)