ethyl 3-nitro-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]benzoic acid ethyl ester Formula: C24H25N5O6 MolecularWeight: 479.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(C)C3=NC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(C)C3=NC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O6/c1-3-34-24(31)19-13-18(14-20(15-19)29(32)33)23(30)28-11-9-27(10-12-28)16(2)22-25-21(26-35-22)17-7-5-4-6-8-17/h4-8,13-16H,3,9-12H2,1-2H3