[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C18H17BrN2O6/c1-11-5-12(2)7-14(6-11)26-10-18(23)27-9-17(22)20-16-4-3-13(21(24)25)8-15(16)19/h3-8H,9-10H2,1-2H3,(H,20,22)