ethanedioic acid; 4-methoxy-2-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol

Systemtic Name: ethanedioic acid; 4-methoxy-2-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol Openeye Name: 4-methoxy-2-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-methoxy-2-[[4-[(2-nitrophenyl)methyl]-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-methoxy-2-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-methoxy-2-[[4-(2-nitrobenzyl)piperazino]methyl]phenol; oxalic acid Formula: C21H25N3O8 MolecularWeight: 447.4385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4.C2H2O4/c1-26-17-6-7-19(23)16(12-17)14-21-10-8-20(9-11-21)13-15-4-2-3-5-18(15)22(24)25;3-1(4)2(5)6/h2-7,12,23H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)