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

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-3-nitro-benzoate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=NC(=NO2)CC(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=NC(=NO2)CC(C)C

InChI

InChI=1S/C15H17N3O5/c1-9(2)7-13-16-14(23-17-13)8-22-15(19)11-5-4-6-12(10(11)3)18(20)21/h4-6,9H,7-8H2,1-3H3