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

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-methoxy-5-nitro-benzoate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15N3O6/c1-11-3-5-12(6-4-11)17-19-16(20-27-17)10-26-18(22)14-9-13(21(23)24)7-8-15(14)25-2/h3-9H,10H2,1-2H3