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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(2-chloranyl-6-nitro-phenoxy)benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(2-chloro-6-nitro-phenoxy)benzoate CAS Name: 3-(2-chloro-6-nitrophenoxy)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(2-chloro-6-nitrophenoxy)benzoate Traditional Name: 3-(2-chloro-6-nitro-phenoxy)benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C22H15ClN2O8 MolecularWeight: 470.8161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN2O8/c1-13-8-9-14(11-19(13)25(30)31)20(26)12-32-22(27)15-4-2-5-16(10-15)33-21-17(23)6-3-7-18(21)24(28)29/h2-11H,12H2,1H3