[(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1S)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [(1S)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)Br)OC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrNO6/c1-10(16(20)11-2-4-12(17)5-3-11)23-15(19)9-7-13-6-8-14(24-13)18(21)22/h2-10H,1H3/b9-7+/t10-/m0/s1