[4-(2-methylbutan-2-yl)phenyl] 2-nitrobenzoate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 2-nitrobenzoate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (4-tert-amylphenyl) ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4/c1-4-18(2,3)13-9-11-14(12-10-13)23-17(20)15-7-5-6-8-16(15)19(21)22/h5-12H,4H2,1-3H3