[(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate

Systemtic Name: [(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate Openeye Name: [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenyl-ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]acetic acid [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] ester IUPAC Name: [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate Traditional Name: 2-[(5-bromo-2-furoyl)amino]acetic acid [(1S)-2-keto-1-(4-nitrophenyl)-2-phenyl-ethyl] ester Formula: C21H15BrN2O7 MolecularWeight: 487.257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H15BrN2O7/c22-17-11-10-16(30-17)21(27)23-12-18(25)31-20(19(26)13-4-2-1-3-5-13)14-6-8-15(9-7-14)24(28)29/h1-11,20H,12H2,(H,23,27)/t20-/m0/s1