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

Systemtic Name: ethyl 4-[[(6-bromanyl-3-nitro-pyridin-2-yl)-ethanoyl-amino]methyl]-3-chloranyl-benzoate Openeye Name: ethyl 4-[[acetyl-(6-bromo-3-nitro-2-pyridyl)amino]methyl]-3-chloro-benzoate CAS Name: 4-[[acetyl-(6-bromo-3-nitro-2-pyridinyl)amino]methyl]-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[acetyl-(6-bromo-3-nitropyridin-2-yl)amino]methyl]-3-chlorobenzoate Traditional Name: 4-[[acetyl-(6-bromo-3-nitro-2-pyridyl)amino]methyl]-3-chloro-benzoic acid ethyl ester Formula: C17H15BrClN3O5 MolecularWeight: 456.6751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClN3O5/c1-3-27-17(24)11-4-5-12(13(19)8-11)9-21(10(2)23)16-14(22(25)26)6-7-15(18)20-16/h4-8H,3,9H2,1-2H3