[2-oxidanylidene-2-(phenethylamino)ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O5/c18-14-7-6-13(10-15(14)20(23)24)17(22)25-11-16(21)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,21)