[2-[4-[2-(4-nitrophenyl)carbonyloxy-2-phenyl-ethyl]piperazin-1-yl]-1-phenyl-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[4-[2-(4-nitrophenyl)carbonyloxy-2-phenyl-ethyl]piperazin-1-yl]-1-phenyl-ethyl] 4-nitrobenzoate Openeye Name: [2-[4-[2-(4-nitrobenzoyl)oxy-2-phenyl-ethyl]piperazin-1-yl]-1-phenyl-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[4-[2-[(4-nitrophenyl)-oxomethoxy]-2-phenylethyl]-1-piperazinyl]-1-phenylethyl] ester IUPAC Name: [2-[4-[2-(4-nitrobenzoyl)oxy-2-phenylethyl]piperazin-1-yl]-1-phenylethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[4-[2-(4-nitrobenzoyl)oxy-2-phenyl-ethyl]piperazino]-1-phenyl-ethyl] ester Formula: C34H32N4O8 MolecularWeight: 624.63988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC(C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC(C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H32N4O8/c39-33(27-11-15-29(16-12-27)37(41)42)45-31(25-7-3-1-4-8-25)23-35-19-21-36(22-20-35)24-32(26-9-5-2-6-10-26)46-34(40)28-13-17-30(18-14-28)38(43)44/h1-18,31-32H,19-24H2