3,3-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one

Systemtic Name: 3,3-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one Openeye Name: 3,3-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one CAS Name: 3,3-dimethyl-1-(5-nitro-1H-indol-3-yl)-1-butanone IUPAC Name: 3,3-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one Traditional Name: 3,3-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one Formula: C14H16N2O3 MolecularWeight: 260.28844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O3/c1-14(2,3)7-13(17)11-8-15-12-5-4-9(16(18)19)6-10(11)12/h4-6,8,15H,7H2,1-3H3