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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-10-7-12(23-17-10)9-22-15(19)11-5-6-13(16(2,3)4)14(8-11)18(20)21/h5-8H,9H2,1-4H3