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

Systemtic Name: ethanedioic acid; 1-[(3-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine Openeye Name: 1-(m-tolylmethyl)-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-methylbenzyl)-4-(4-nitrobenzyl)piperazine; oxalic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O2.C2H2O4/c1-16-3-2-4-18(13-16)15-21-11-9-20(10-12-21)14-17-5-7-19(8-6-17)22(23)24;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)