1-(2,5-dimethyl-3-nitro-phenyl)piperazine

Systemtic Name: 1-(2,5-dimethyl-3-nitro-phenyl)piperazine Openeye Name: 1-(2,5-dimethyl-3-nitro-phenyl)piperazine CAS Name: 1-(2,5-dimethyl-3-nitrophenyl)piperazine IUPAC Name: 1-(2,5-dimethyl-3-nitrophenyl)piperazine Traditional Name: 1-(2,5-dimethyl-3-nitro-phenyl)piperazine Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])C)N2CCNCC2

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])C)N2CCNCC2

InChI

InChI=1S/C12H17N3O2/c1-9-7-11(14-5-3-13-4-6-14)10(2)12(8-9)15(16)17/h7-8,13H,3-6H2,1-2H3