(3-phenylmethoxyphenyl)methyl 4-(4-nitrophenyl)piperazine-1-carboxylate

Systemtic Name: (3-phenylmethoxyphenyl)methyl 4-(4-nitrophenyl)piperazine-1-carboxylate Openeye Name: (3-benzyloxyphenyl)methyl 4-(4-nitrophenyl)piperazine-1-carboxylate CAS Name: 4-(4-nitrophenyl)-1-piperazinecarboxylic acid (3-phenylmethoxyphenyl)methyl ester IUPAC Name: (3-phenylmethoxyphenyl)methyl 4-(4-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-nitrophenyl)piperazine-1-carboxylic acid (3-benzoxybenzyl) ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O5/c29-25(27-15-13-26(14-16-27)22-9-11-23(12-10-22)28(30)31)33-19-21-7-4-8-24(17-21)32-18-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2