[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-nitrobenzoate

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-nitrobenzoate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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