[2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dinitro-benzoate

Systemtic Name: [2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dinitro-benzoate Openeye Name: [2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-oxo-ethyl] 4-bromo-3,5-dinitro-benzoate CAS Name: 4-bromo-3,5-dinitrobenzoic acid [2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] 4-bromo-3,5-dinitrobenzoate Traditional Name: 4-bromo-3,5-dinitro-benzoic acid [2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-keto-ethyl] ester Formula: C21H11BrClN3O10 MolecularWeight: 580.68314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H11BrClN3O10/c22-19-16(25(31)32)8-12(9-17(19)26(33)34)21(28)35-10-18(27)11-4-6-13(7-5-11)36-20-14(23)2-1-3-15(20)24(29)30/h1-9H,10H2