[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H14BrNO6 MolecularWeight: 408.20016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)COC2=CC(=CC=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)COC2=CC(=CC=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrNO6/c1-11-5-6-12(7-15(11)19(22)23)16(20)9-25-17(21)10-24-14-4-2-3-13(18)8-14/h2-8H,9-10H2,1H3