[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [5-(5-methyl-3-phenyl-4-isoxazolyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C25H23N5O6 MolecularWeight: 489.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)COC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)COC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O6/c1-16-22(23(28-36-16)17-8-4-2-5-9-17)24-27-26-21(35-24)15-34-25(31)18-10-11-19(20(14-18)30(32)33)29-12-6-3-7-13-29/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3