(3S)-3-(furan-2-yl)-4-nitro-1-phenyl-butan-1-one

Systemtic Name: (3S)-3-(furan-2-yl)-4-nitro-1-phenyl-butan-1-one Openeye Name: (3S)-3-(2-furyl)-4-nitro-1-phenyl-butan-1-one CAS Name: (3S)-3-(2-furanyl)-4-nitro-1-phenyl-1-butanone IUPAC Name: (3S)-3-(furan-2-yl)-4-nitro-1-phenylbutan-1-one Traditional Name: (3S)-3-(2-furyl)-4-nitro-1-phenyl-butan-1-one Formula: C14H13NO4 MolecularWeight: 259.25732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C[N+](=O)[O-])C2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[C@@H](C[N+](=O)[O-])C2=CC=CO2

InChI

InChI=1S/C14H13NO4/c16-13(11-5-2-1-3-6-11)9-12(10-15(17)18)14-7-4-8-19-14/h1-8,12H,9-10H2/t12-/m0/s1