1-ethyl-2,3,3-trimethyl-5-nitro-indol-1-ium

Systemtic Name: 1-ethyl-2,3,3-trimethyl-5-nitro-indol-1-ium Openeye Name: 1-ethyl-2,3,3-trimethyl-5-nitro-indol-1-ium CAS Name: 1-ethyl-2,3,3-trimethyl-5-nitroindol-1-ium IUPAC Name: 1-ethyl-2,3,3-trimethyl-5-nitroindol-1-ium Traditional Name: 1-ethyl-2,3,3-trimethyl-5-nitro-indol-1-ium Formula: C13H17N2O2+ MolecularWeight: 233.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C)C

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C)C

InChI

InChI=1S/C13H17N2O2/c1-5-14-9(2)13(3,4)11-8-10(15(16)17)6-7-12(11)14/h6-8H,5H2,1-4H3/q+1