2-[1-(1H-indol-3-yl)-2-nitro-ethyl]cyclohexane-1,3-dione

Systemtic Name: 2-[1-(1H-indol-3-yl)-2-nitro-ethyl]cyclohexane-1,3-dione Openeye Name: 2-[1-(1H-indol-3-yl)-2-nitro-ethyl]cyclohexane-1,3-dione CAS Name: 2-[1-(1H-indol-3-yl)-2-nitroethyl]cyclohexane-1,3-dione IUPAC Name: 2-[1-(1H-indol-3-yl)-2-nitroethyl]cyclohexane-1,3-dione Traditional Name: 2-[1-(1H-indol-3-yl)-2-nitro-ethyl]cyclohexane-1,3-quinone Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h1-2,4-5,8,12,16-17H,3,6-7,9H2