(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C23H16ClN3O7 MolecularWeight: 481.84204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClN3O7/c1-31-20-11-15(7-9-19(20)33-18-10-8-16(24)12-17(18)27(29)30)23(28)32-13-21-25-26-22(34-21)14-5-3-2-4-6-14/h2-12H,13H2,1H3