[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C23H19ClN2O8 MolecularWeight: 486.85856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C23H19ClN2O8/c1-31-17-8-9-18(21(12-17)32-2)25-22(27)13-33-23(28)14-3-6-16(7-4-14)34-20-10-5-15(24)11-19(20)26(29)30/h3-12H,13H2,1-2H3,(H,25,27)