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

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-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-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H16N4O5 MolecularWeight: 368.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5/c1-11-5-3-4-6-13(11)17-20-16(27-21-17)10-26-18(23)12-7-8-14(19-2)15(9-12)22(24)25/h3-9,19H,10H2,1-2H3