[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C21H14BrNO7 MolecularWeight: 472.24236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)C2=C(C=CC(=C2)Br)O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)C2=C(C=CC(=C2)Br)O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrNO7/c22-14-3-10-19(24)18(11-14)21(26)29-12-20(25)13-1-6-16(7-2-13)30-17-8-4-15(5-9-17)23(27)28/h1-11,24H,12H2