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

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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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=C3C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CC=CC=C3C)OC

InChI

InChI=1S/C20H19N3O7/c1-4-28-17-10-15(23(25)26)14(9-16(17)27-3)20(24)29-11-18-21-19(22-30-18)13-8-6-5-7-12(13)2/h5-10H,4,11H2,1-3H3