[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-azanyl-3,5-bis(bromanyl)benzoate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-azanyl-3,5-bis(bromanyl)benzoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 4-amino-3,5-dibromo-benzoate CAS Name: 4-amino-3,5-dibromobenzoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-amino-3,5-dibromobenzoate Traditional Name: 4-amino-3,5-dibromo-benzoic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C15H9Br2ClN2O5 MolecularWeight: 492.50336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=C(C(=C2)Br)N)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=C(C(=C2)Br)N)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H9Br2ClN2O5/c16-9-3-8(4-10(17)14(9)19)15(22)25-6-13(21)7-1-2-11(18)12(5-7)20(23)24/h1-5H,6,19H2