[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 3-nitrobenzoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-12(2)13-6-8-14(9-7-13)17(20)11-24-18(21)15-4-3-5-16(10-15)19(22)23/h3-10,12H,11H2,1-2H3