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

Systemtic Name: ethanedioic acid; 1-[4-(4-methyl-2-nitro-phenoxy)butyl]piperazine Openeye Name: 1-[4-(4-methyl-2-nitro-phenoxy)butyl]piperazine; oxalic acid CAS Name: 1-[4-(4-methyl-2-nitrophenoxy)butyl]piperazine; oxalic acid IUPAC Name: 1-[4-(4-methyl-2-nitrophenoxy)butyl]piperazine; oxalic acid Traditional Name: 1-[4-(4-methyl-2-nitro-phenoxy)butyl]piperazine; oxalic acid Formula: C17H25N3O7 MolecularWeight: 383.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCN2CCNCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCN2CCNCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23N3O3.C2H2O4/c1-13-4-5-15(14(12-13)18(19)20)21-11-3-2-8-17-9-6-16-7-10-17;3-1(4)2(5)6/h4-5,12,16H,2-3,6-11H2,1H3;(H,3,4)(H,5,6)