[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C17H15BrN2O6 MolecularWeight: 423.2148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H15BrN2O6/c1-11(17(22)19-13-5-7-14(8-6-13)20(23)24)26-16(21)10-25-15-4-2-3-12(18)9-15/h2-9,11H,10H2,1H3,(H,19,22)