7-nitro-2-oxidanyl-4H-isoquinoline-1,3-dione

Systemtic Name: 7-nitro-2-oxidanyl-4H-isoquinoline-1,3-dione Openeye Name: 2-hydroxy-7-nitro-4H-isoquinoline-1,3-dione CAS Name: 2-hydroxy-7-nitro-4H-isoquinoline-1,3-dione IUPAC Name: 2-hydroxy-7-nitro-4H-isoquinoline-1,3-dione Traditional Name: 2-hydroxy-7-nitro-4H-isoquinoline-1,3-quinone Formula: C9H6N2O5 MolecularWeight: 222.15434

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)O

InChI

InChI=1S/C9H6N2O5/c12-8-3-5-1-2-6(11(15)16)4-7(5)9(13)10(8)14/h1-2,4,14H,3H2