4-(1-methyl-5-nitro-indol-3-yl)butan-2-one

Systemtic Name: 4-(1-methyl-5-nitro-indol-3-yl)butan-2-one Openeye Name: 4-(1-methyl-5-nitro-indol-3-yl)butan-2-one CAS Name: 4-(1-methyl-5-nitro-3-indolyl)-2-butanone IUPAC Name: 4-(1-methyl-5-nitroindol-3-yl)butan-2-one Traditional Name: 4-(1-methyl-5-nitro-indol-3-yl)butan-2-one Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CN(C2=C1C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=O)CCC1=CN(C2=C1C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N2O3/c1-9(16)3-4-10-8-14(2)13-6-5-11(15(17)18)7-12(10)13/h5-8H,3-4H2,1-2H3