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

Systemtic Name: [2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-keto-ethyl] ester Formula: C21H13BrClNO6 MolecularWeight: 490.68802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)OCC(=O)C2=CC=C(C=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)OCC(=O)C2=CC=C(C=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13BrClNO6/c22-15-4-1-3-14(11-15)21(26)29-12-19(25)13-7-9-16(10-8-13)30-20-17(23)5-2-6-18(20)24(27)28/h1-11H,12H2