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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5/c1-8-5-10(3-4-12(8)15(17)18)13(16)19-7-11-6-9(2)14-20-11/h3-6H,7H2,1-2H3