2-methyl-5-nitro-5H-isoquinolin-2-ium-1-one

Systemtic Name: 2-methyl-5-nitro-5H-isoquinolin-2-ium-1-one Openeye Name: 2-methyl-5-nitro-5H-isoquinolin-2-ium-1-one CAS Name: 2-methyl-5-nitro-5H-isoquinolin-2-ium-1-one IUPAC Name: 2-methyl-5-nitro-5H-isoquinolin-2-ium-1-one Traditional Name: 2-methyl-5-nitro-5H-isoquinolin-2-ium-1-one Formula: C10H9N2O3+ MolecularWeight: 205.19006

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C2C(C=CC=C2C1=O)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=C2C(C=CC=C2C1=O)[N+](=O)[O-]

InChI

InChI=1S/C10H9N2O3/c1-11-6-5-7-8(10(11)13)3-2-4-9(7)12(14)15/h2-6,9H,1H3/q+1