[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H17NO5/c1-11-7-13(3)16(8-12(11)2)17(20)10-24-18(21)14-5-4-6-15(9-14)19(22)23/h4-9H,10H2,1-3H3