ethanedioic acid; 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazine Openeye Name: 1-[(4-methoxy-1-naphthyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-methoxy-1-naphthalenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-[(4-methoxy-1-naphthyl)methyl]-4-(3-nitrobenzyl)piperazine; oxalic acid Formula: C25H27N3O7 MolecularWeight: 481.49778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)CN3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)CN3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25N3O3.C2H2O4/c1-29-23-10-9-19(21-7-2-3-8-22(21)23)17-25-13-11-24(12-14-25)16-18-5-4-6-20(15-18)26(27)28;3-1(4)2(5)6/h2-10,15H,11-14,16-17H2,1H3;(H,3,4)(H,5,6)