[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-(2-chloranyl-6-nitro-phenoxy)benzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-(2-chloranyl-6-nitro-phenoxy)benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3-(2-chloro-6-nitro-phenoxy)benzoate CAS Name: 3-(2-chloro-6-nitrophenoxy)benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3-(2-chloro-6-nitrophenoxy)benzoate Traditional Name: 3-(2-chloro-6-nitro-phenoxy)benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C22H16ClNO6 MolecularWeight: 425.81854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClNO6/c1-14-8-10-15(11-9-14)20(25)13-29-22(26)16-4-2-5-17(12-16)30-21-18(23)6-3-7-19(21)24(27)28/h2-12H,13H2,1H3