[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C19H19NO5 MolecularWeight: 341.35786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5/c1-19(2,3)15-9-7-13(8-10-15)17(21)12-25-18(22)14-5-4-6-16(11-14)20(23)24/h4-11H,12H2,1-3H3