5-nitro-2H-isoquinolin-3-one

Systemtic Name: 5-nitro-2H-isoquinolin-3-one Openeye Name: 5-nitro-2H-isoquinolin-3-one CAS Name: 5-nitro-2H-isoquinolin-3-one IUPAC Name: 5-nitro-2H-isoquinolin-3-one Traditional Name: 5-nitro-3-isoquinolone Formula: C9H6N2O3 MolecularWeight: 190.15554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O3/c12-9-4-7-6(5-10-9)2-1-3-8(7)11(13)14/h1-5H,(H,10,12)