1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine Openeye Name: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine CAS Name: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine Traditional Name: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

InChI

InChI=1S/C20H23N3O4/c1-14-4-3-5-17(15(14)2)22-8-6-21(7-9-22)12-16-10-19-20(27-13-26-19)11-18(16)23(24)25/h3-5,10-11H,6-9,12-13H2,1-2H3