[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 4-chloranyl-3-nitro-benzoate Openeye Name: [5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-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 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C16H12ClN3O6 MolecularWeight: 377.73598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O6/c1-8-5-11(9(2)25-8)15-19-18-14(26-15)7-24-16(21)10-3-4-12(17)13(6-10)20(22)23/h3-6H,7H2,1-2H3