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

Systemtic Name: 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-chloranyl-2-nitro-benzoate Openeye Name: 1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid 1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O5/c1-10-4-3-5-12(8-10)17-21-20-16(27-17)11(2)26-18(23)14-7-6-13(19)9-15(14)22(24)25/h3-9,11H,1-2H3