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

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 3-bromanyl-4-methyl-benzoate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 3-bromo-4-methyl-benzoate CAS Name: 3-bromo-4-methylbenzoic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 3-bromo-4-methylbenzoate Traditional Name: 3-bromo-4-methyl-benzoic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C22H16BrNO6 MolecularWeight: 470.26954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H16BrNO6/c1-14-2-3-16(12-20(14)23)22(26)29-13-21(25)15-4-8-18(9-5-15)30-19-10-6-17(7-11-19)24(27)28/h2-12H,13H2,1H3