[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H16ClN3O7 MolecularWeight: 433.79924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C19H16ClN3O7/c1-3-28-16-9-14(23(25)26)13(8-15(16)27-2)19(24)29-10-17-21-18(22-30-17)11-5-4-6-12(20)7-11/h4-9H,3,10H2,1-2H3