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

Systemtic Name: methyl 4-[5-(3-nitrophenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoate Openeye Name: methyl 4-[5-(3-nitrophenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoate CAS Name: 4-[5-(3-nitrophenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(3-nitrophenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoate Traditional Name: 4-[5-(3-nitrophenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NOC(N2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NOC(N2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5/c1-29-22(26)16-12-10-15(11-13-16)20-23-30-21(24(20)18-7-3-2-4-8-18)17-6-5-9-19(14-17)25(27)28/h2-14,21H,1H3