(4-tert-butyl-2-methyl-phenyl) 3-nitrobenzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-nitrobenzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4/c1-12-10-14(18(2,3)4)8-9-16(12)23-17(20)13-6-5-7-15(11-13)19(21)22/h5-11H,1-4H3