ethanedioic acid; (4-methoxyphenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-methoxyphenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (4-methoxyphenyl)-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-methoxyphenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-methoxyphenyl)-[4-(3-nitrobenzyl)piperazino]methanone; oxalic acid Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21N3O4.C2H2O4/c1-26-18-7-5-16(6-8-18)19(23)21-11-9-20(10-12-21)14-15-3-2-4-17(13-15)22(24)25;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3;(H,3,4)(H,5,6)