(4-nitrophenyl) 5-tert-butyl-2-methyl-3-nitro-6-oxidanyl-benzoate

Systemtic Name: (4-nitrophenyl) 5-tert-butyl-2-methyl-3-nitro-6-oxidanyl-benzoate Openeye Name: (4-nitrophenyl) 3-tert-butyl-2-hydroxy-6-methyl-5-nitro-benzoate CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-nitrobenzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-tert-butyl-2-hydroxy-6-methyl-5-nitrobenzoate Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-nitro-benzoic acid (4-nitrophenyl) ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7/c1-10-14(20(25)26)9-13(18(2,3)4)16(21)15(10)17(22)27-12-7-5-11(6-8-12)19(23)24/h5-9,21H,1-4H3