[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C22H16BrNO7 MolecularWeight: 486.26894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C22H16BrNO7/c1-29-21-11-4-15(12-19(21)23)22(26)30-13-20(25)14-2-7-17(8-3-14)31-18-9-5-16(6-10-18)24(27)28/h2-12H,13H2,1H3