(3-methyl-2-nitro-phenyl)methyl 4-[(2,4,6-trimethoxyphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: (3-methyl-2-nitro-phenyl)methyl 4-[(2,4,6-trimethoxyphenyl)methyl]piperazine-1-carboxylate Openeye Name: (3-methyl-2-nitro-phenyl)methyl 4-[(2,4,6-trimethoxyphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2,4,6-trimethoxyphenyl)methyl]-1-piperazinecarboxylic acid (3-methyl-2-nitrophenyl)methyl ester IUPAC Name: (3-methyl-2-nitrophenyl)methyl 4-[(2,4,6-trimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2,4,6-trimethoxybenzyl)piperazine-1-carboxylic acid (3-methyl-2-nitro-benzyl) ester Formula: C23H29N3O7 MolecularWeight: 459.49226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC(=O)N2CCN(CC2)CC3=C(C=C(C=C3OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)COC(=O)N2CCN(CC2)CC3=C(C=C(C=C3OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O7/c1-16-6-5-7-17(22(16)26(28)29)15-33-23(27)25-10-8-24(9-11-25)14-19-20(31-3)12-18(30-2)13-21(19)32-4/h5-7,12-13H,8-11,14-15H2,1-4H3