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

Systemtic Name: methyl 4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-nitro-benzoate Openeye Name: methyl 4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-nitro-benzoate CAS Name: 4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-nitrobenzoate Traditional Name: 3-nitro-4-[(3-p-phenetyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid methyl ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NOC(=N2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NOC(=N2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O7/c1-3-27-14-7-4-12(5-8-14)18-20-17(29-21-18)11-28-16-9-6-13(19(23)26-2)10-15(16)22(24)25/h4-10H,3,11H2,1-2H3