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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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