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

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoate Traditional Name: 3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O6/c1-13-3-5-14(6-4-13)20-21-18(29-22-20)9-10-19(24)28-12-15-11-16(23(25)26)7-8-17(15)27-2/h3-8,11H,9-10,12H2,1-2H3