[(1S)-2-oxidanylidene-1,2-diphenyl-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [(1S)-2-oxidanylidene-1,2-diphenyl-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1S)-2-oxo-1,2-diphenyl-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [(1S)-2-oxo-1,2-diphenylethyl] ester IUPAC Name: [(1S)-2-oxo-1,2-diphenylethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [(1S)-2-keto-1,2-diphenyl-ethyl] ester Formula: C21H15NO6 MolecularWeight: 377.3469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H15NO6/c23-19(14-12-17-11-13-18(27-17)22(25)26)28-21(16-9-5-2-6-10-16)20(24)15-7-3-1-4-8-15/h1-14,21H/b14-12+/t21-/m0/s1