(6-nitro-1,3-benzodioxol-5-yl)methyl 3-methyl-4-(4-methylphenyl)piperazine-1-carboxylate

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 3-methyl-4-(4-methylphenyl)piperazine-1-carboxylate Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 3-methyl-4-(p-tolyl)piperazine-1-carboxylate CAS Name: 3-methyl-4-(4-methylphenyl)-1-piperazinecarboxylic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 3-methyl-4-(4-methylphenyl)piperazine-1-carboxylate Traditional Name: 3-methyl-4-(p-tolyl)piperazine-1-carboxylic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)OCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)OCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H23N3O6/c1-14-3-5-17(6-4-14)23-8-7-22(11-15(23)2)21(25)28-12-16-9-19-20(30-13-29-19)10-18(16)24(26)27/h3-6,9-10,15H,7-8,11-13H2,1-2H3