[4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonyloxymethyl]phenyl]methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonyloxymethyl]phenyl]methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [4-[[3-nitro-4-(1-piperidyl)benzoyl]oxymethyl]phenyl]methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [4-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethoxy]methyl]phenyl]methyl ester IUPAC Name: [4-[(3-nitro-4-piperidin-1-ylbenzoyl)oxymethyl]phenyl]methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [4-[(3-nitro-4-piperidino-benzoyl)oxymethyl]benzyl] ester Formula: C32H34N4O8 MolecularWeight: 602.63436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)COC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)COC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C32H34N4O8/c37-31(25-11-13-27(29(19-25)35(39)40)33-15-3-1-4-16-33)43-21-23-7-9-24(10-8-23)22-44-32(38)26-12-14-28(30(20-26)36(41)42)34-17-5-2-6-18-34/h7-14,19-20H,1-6,15-18,21-22H2