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

Systemtic Name: methyl 3-nitro-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H23N5O6 MolecularWeight: 465.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C1=NC(=NO1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H23N5O6/c1-15(21-24-20(25-34-21)16-6-4-3-5-7-16)26-8-10-27(11-9-26)22(29)17-12-18(23(30)33-2)14-19(13-17)28(31)32/h3-7,12-15H,8-11H2,1-2H3