ethanedioic acid; 3-methyl-1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: ethanedioic acid; 3-methyl-1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]butan-1-one; oxalic acid CAS Name: 3-methyl-1-[4-[(2-nitrophenyl)methyl]-1-piperazinyl]-1-butanone; oxalic acid IUPAC Name: 3-methyl-1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]butan-1-one; oxalic acid Traditional Name: 3-methyl-1-[4-(2-nitrobenzyl)piperazino]butan-1-one; oxalic acid Formula: C18H25N3O7 MolecularWeight: 395.407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3.C2H2O4/c1-13(2)11-16(20)18-9-7-17(8-10-18)12-14-5-3-4-6-15(14)19(21)22;3-1(4)2(5)6/h3-6,13H,7-12H2,1-2H3;(H,3,4)(H,5,6)