(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-nitrobenzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-nitrobenzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5/c20-16(12-6-8-13(9-7-12)19(21)22)23-10-14-17-15(18-24-14)11-4-2-1-3-5-11/h1-9H,10H2