[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 3-nitrobenzoate

Systemtic Name: [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 3-nitrobenzoate Openeye Name: [5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-(2,5-dimethyl-3-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C16H13N3O6 MolecularWeight: 343.29092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NN=C(O2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NN=C(O2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6/c1-9-6-13(10(2)24-9)15-18-17-14(25-15)8-23-16(20)11-4-3-5-12(7-11)19(21)22/h3-7H,8H2,1-2H3