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

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H16ClN3O6 MolecularWeight: 417.79984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN3O6/c1-11(2)18-21-17(29-22-18)10-27-19(24)12-3-6-14(7-4-12)28-16-8-5-13(20)9-15(16)23(25)26/h3-9,11H,10H2,1-2H3