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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC(=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC(=CC=C3)C)OC

InChI

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