ethanedioic acid; 1-[(4-nitrophenyl)methyl]-4-propan-2-yl-piperazine

Systemtic Name: ethanedioic acid; 1-[(4-nitrophenyl)methyl]-4-propan-2-yl-piperazine Openeye Name: 1-isopropyl-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-nitrophenyl)methyl]-4-propan-2-ylpiperazine; oxalic acid IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-propan-2-ylpiperazine; oxalic acid Traditional Name: 1-isopropyl-4-(4-nitrobenzyl)piperazine; oxalic acid Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21N3O2.C2H2O4/c1-12(2)16-9-7-15(8-10-16)11-13-3-5-14(6-4-13)17(18)19;3-1(4)2(5)6/h3-6,12H,7-11H2,1-2H3;(H,3,4)(H,5,6)