6-tert-butyl-4-nitro-1-oxidanidyl-quinolin-1-ium

Systemtic Name: 6-tert-butyl-4-nitro-1-oxidanidyl-quinolin-1-ium Openeye Name: 6-tert-butyl-4-nitro-1-oxido-quinolin-1-ium CAS Name: 6-tert-butyl-4-nitro-1-oxidoquinolin-1-ium IUPAC Name: 6-tert-butyl-4-nitro-1-oxidoquinolin-1-ium Traditional Name: 6-tert-butyl-4-nitro-1-oxido-quinolin-1-ium Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C[N+](=C2C=C1)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C[N+](=C2C=C1)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O3/c1-13(2,3)9-4-5-11-10(8-9)12(15(17)18)6-7-14(11)16/h4-8H,1-3H3