(4-tert-butylphenyl) 3-nitrobenzoate

Systemtic Name: (4-tert-butylphenyl) 3-nitrobenzoate Openeye Name: (4-tert-butylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-tert-butylphenyl) ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4/c1-17(2,3)13-7-9-15(10-8-13)22-16(19)12-5-4-6-14(11-12)18(20)21/h4-11H,1-3H3