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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O5/c1-14-18(23-20(29-14)15-8-6-5-7-9-15)13-28-21(25)16-10-11-17(22(2,3)4)19(12-16)24(26)27/h5-12H,13H2,1-4H3