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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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