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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-10-13(11(2)24-18-10)9-23-16(20)12-6-7-14(17(3,4)5)15(8-12)19(21)22/h6-8H,9H2,1-5H3