(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-nitro-benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-nitro-benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5/c1-8(2)13-15-12(22-16-13)7-21-14(18)10-5-4-6-11(9(10)3)17(19)20/h4-6,8H,7H2,1-3H3