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

Systemtic Name: [4-[[(6-bromanyl-3-nitro-pyridin-2-yl)-propanoyl-amino]methyl]-3-chloranyl-phenyl] ethanoate Openeye Name: [4-[[(6-bromo-3-nitro-2-pyridyl)-propanoyl-amino]methyl]-3-chloro-phenyl] acetate CAS Name: acetic acid [4-[[(6-bromo-3-nitro-2-pyridinyl)-(1-oxopropyl)amino]methyl]-3-chlorophenyl] ester IUPAC Name: [4-[[(6-bromo-3-nitropyridin-2-yl)-propanoylamino]methyl]-3-chlorophenyl] acetate Traditional Name: acetic acid [4-[[(6-bromo-3-nitro-2-pyridyl)-propionyl-amino]methyl]-3-chloro-phenyl] ester Formula: C17H15BrClN3O5 MolecularWeight: 456.6751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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