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

Systemtic Name: ethanedioic acid; (3-methoxyphenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (3-methoxyphenyl)-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-methoxyphenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-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=CC(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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