(2-tert-butylphenyl) 4-methyl-3-nitro-benzoate

Systemtic Name: (2-tert-butylphenyl) 4-methyl-3-nitro-benzoate Openeye Name: (2-tert-butylphenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (2-tert-butylphenyl) ester IUPAC Name: (2-tert-butylphenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-tert-butylphenyl) ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(C)(C)C)[N+](=O)[O-]

InChI

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