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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=NO2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NO2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

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