(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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