ethanedioic acid; 1-methyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazine

Systemtic Name: ethanedioic acid; 1-methyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazine Openeye Name: 1-methyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazine; oxalic acid CAS Name: 1-methyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazine; oxalic acid IUPAC Name: 1-methyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazine; oxalic acid Traditional Name: 1-methyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazine; oxalic acid Formula: C16H23N3O7 MolecularWeight: 369.36972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCN2CCN(CC2)C)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCN2CCN(CC2)C)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21N3O3.C2H2O4/c1-12-11-13(3-4-14(12)17(18)19)20-10-9-16-7-5-15(2)6-8-16;3-1(4)2(5)6/h3-4,11H,5-10H2,1-2H3;(H,3,4)(H,5,6)