3-(1-methyl-5-nitro-indol-4-yl)propyl methanesulfonate

Systemtic Name: 3-(1-methyl-5-nitro-indol-4-yl)propyl methanesulfonate Openeye Name: 3-(1-methyl-5-nitro-indol-4-yl)propyl methanesulfonate CAS Name: methanesulfonic acid 3-(1-methyl-5-nitro-4-indolyl)propyl ester IUPAC Name: 3-(1-methyl-5-nitroindol-4-yl)propyl methanesulfonate Traditional Name: methanesulfonic acid 3-(1-methyl-5-nitro-indol-4-yl)propyl ester Formula: C13H16N2O5S MolecularWeight: 312.34154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2CCCOS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2CCCOS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-14-8-7-11-10(4-3-9-20-21(2,18)19)13(15(16)17)6-5-12(11)14/h5-8H,3-4,9H2,1-2H3