[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenoxypropanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenoxypropanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15BrN2O6 MolecularWeight: 423.2148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O6/c18-14-10-12(20(23)24)6-7-15(14)19-16(21)11-26-17(22)8-9-25-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,21)