2-[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[(1S)-1-(1H-indol-3-yl)-2-nitroethyl]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-2-[(1S)-1-(1H-indol-3-yl)-2-nitroethyl]cyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]cyclohex-2-en-1-one Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)O

Isomeric SMILES

C1CC(=C(C(=O)C1)[C@@H](C[N+](=O)[O-])C2=CNC3=CC=CC=C32)O

InChI

InChI=1S/C16H16N2O4/c19-14-6-3-7-15(20)16(14)12(9-18(21)22)11-8-17-13-5-2-1-4-10(11)13/h1-2,4-5,8,12,17,19H,3,6-7,9H2/t12-/m0/s1