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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(2-chloranyl-6-nitro-phenoxy)benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 4-(2-chloro-6-nitro-phenoxy)benzoate CAS Name: 4-(2-chloro-6-nitrophenoxy)benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(2-chloro-6-nitrophenoxy)benzoate Traditional Name: 4-(2-chloro-6-nitro-phenoxy)benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H18ClNO6 MolecularWeight: 439.84512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClNO6/c1-14-6-7-17(12-15(14)2)21(26)13-30-23(27)16-8-10-18(11-9-16)31-22-19(24)4-3-5-20(22)25(28)29/h3-12H,13H2,1-2H3