ethanedioic acid; 1-(3-methylcyclohexyl)-4-[(2-nitrophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(3-methylcyclohexyl)-4-[(2-nitrophenyl)methyl]piperazine Openeye Name: 1-(3-methylcyclohexyl)-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-(3-methylcyclohexyl)-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(3-methylcyclohexyl)-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-methylcyclohexyl)-4-(2-nitrobenzyl)piperazine; oxalic acid Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O2.C2H2O4/c1-15-5-4-7-17(13-15)20-11-9-19(10-12-20)14-16-6-2-3-8-18(16)21(22)23;3-1(4)2(5)6/h2-3,6,8,15,17H,4-5,7,9-14H2,1H3;(H,3,4)(H,5,6)