[4-[[(6-bromanyl-3-nitro-pyridin-2-yl)-ethanoyl-amino]methyl]-3-chloranyl-phenyl] ethanoate

Systemtic Name: [4-[[(6-bromanyl-3-nitro-pyridin-2-yl)-ethanoyl-amino]methyl]-3-chloranyl-phenyl] ethanoate Openeye Name: [4-[[acetyl-(6-bromo-3-nitro-2-pyridyl)amino]methyl]-3-chloro-phenyl] acetate CAS Name: acetic acid [4-[[acetyl-(6-bromo-3-nitro-2-pyridinyl)amino]methyl]-3-chlorophenyl] ester IUPAC Name: [4-[[acetyl-(6-bromo-3-nitropyridin-2-yl)amino]methyl]-3-chlorophenyl] acetate Traditional Name: acetic acid [4-[[acetyl-(6-bromo-3-nitro-2-pyridyl)amino]methyl]-3-chloro-phenyl] ester Formula: C16H13BrClN3O5 MolecularWeight: 442.64852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=C(C=C(C=C1)OC(=O)C)Cl)C2=C(C=CC(=N2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(CC1=C(C=C(C=C1)OC(=O)C)Cl)C2=C(C=CC(=N2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrClN3O5/c1-9(22)20(16-14(21(24)25)5-6-15(17)19-16)8-11-3-4-12(7-13(11)18)26-10(2)23/h3-7H,8H2,1-2H3