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

Systemtic Name: [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methyl-3-nitro-benzoate Openeye Name: [5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-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-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-11-4-3-5-13(8-11)17-20-19-16(26-17)10-25-18(22)14-7-6-12(2)15(9-14)21(23)24/h3-9H,10H2,1-2H3