(4-nitrophenyl) 4-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl) 4-[bis(4-dimethylaminophenyl)-hydroxy-methyl]piperidine-1-carboxylate CAS Name: 4-[bis(4-dimethylaminophenyl)-hydroxymethyl]-1-piperidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[bis(4-dimethylaminophenyl)-hydroxymethyl]piperidine-1-carboxylate Traditional Name: 4-[bis(4-dimethylaminophenyl)-hydroxy-methyl]piperidine-1-carboxylic acid (4-nitrophenyl) ester Formula: C29H34N4O5 MolecularWeight: 518.60406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2CCN(CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=C(C=C4)N(C)C)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2CCN(CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=C(C=C4)N(C)C)O

InChI

InChI=1S/C29H34N4O5/c1-30(2)24-9-5-21(6-10-24)29(35,22-7-11-25(12-8-22)31(3)4)23-17-19-32(20-18-23)28(34)38-27-15-13-26(14-16-27)33(36)37/h5-16,23,35H,17-20H2,1-4H3