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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C(C)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C(C)OC2=CC=C(C=C2)Br

InChI

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