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

Systemtic Name: methyl 5-nitro-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzoate CAS Name: 5-nitro-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzoate Traditional Name: 5-nitro-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazino]benzoic acid methyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O5/c1-30-21(27)17-13-16(26(28)29)7-8-18(17)25-11-9-24(10-12-25)14-19-22-20(23-31-19)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3