(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H15N3O7 MolecularWeight: 385.3276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15N3O7/c1-25-14-8-12(13(21(23)24)9-15(14)26-2)18(22)27-10-16-19-17(20-28-16)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3