[4-(2-methylbutan-2-yl)phenyl] 3-nitrobenzoate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 3-nitrobenzoate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 3-nitrobenzoate Traditional Name: 3-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)14-8-10-16(11-9-14)23-17(20)13-6-5-7-15(12-13)19(21)22/h5-12H,4H2,1-3H3