[2-oxidanylidene-2-(4-propylphenyl)ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H19NO5/c1-3-4-14-5-7-15(8-6-14)18(21)12-25-19(22)16-9-10-17(20(23)24)13(2)11-16/h5-11H,3-4,12H2,1-2H3