methyl 3-bromanyl-4-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-benzoate

Systemtic Name: methyl 3-bromanyl-4-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-benzoate Openeye Name: methyl 3-bromo-4-[1-methyl-2-(4-nitroanilino)-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[1-(4-nitroanilino)-1-oxopropan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[1-(4-nitroanilino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 3-bromo-4-[2-keto-1-methyl-2-(4-nitroanilino)ethoxy]benzoic acid methyl ester Formula: C17H15BrN2O6 MolecularWeight: 423.2148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O6/c1-10(16(21)19-12-4-6-13(7-5-12)20(23)24)26-15-8-3-11(9-14(15)18)17(22)25-2/h3-10H,1-2H3,(H,19,21)