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

Systemtic Name: 3-methyl-1-(5-nitro-1H-indol-3-yl)butan-1-one Openeye Name: 3-methyl-1-(5-nitro-1H-indol-3-yl)butan-1-one CAS Name: 3-methyl-1-(5-nitro-1H-indol-3-yl)-1-butanone IUPAC Name: 3-methyl-1-(5-nitro-1H-indol-3-yl)butan-1-one Traditional Name: 3-methyl-1-(5-nitro-1H-indol-3-yl)butan-1-one Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-8(2)5-13(16)11-7-14-12-4-3-9(15(17)18)6-10(11)12/h3-4,6-8,14H,5H2,1-2H3