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

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoate Openeye Name: (4-carbamoyl-2-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 (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-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 (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H18N4O6 MolecularWeight: 410.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O6/c1-12-2-4-13(5-3-12)20-22-17(30-23-20)8-9-18(25)29-11-15-7-6-14(19(21)26)10-16(15)24(27)28/h2-7,10H,8-9,11H2,1H3,(H2,21,26)