[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO5/c1-10-6-12(3)14(7-11(10)2)17(21)9-25-18(22)15-8-13(20(23)24)4-5-16(15)19/h4-8H,9H2,1-3H3