2-ethyl-5-nitro-isoquinoline-1,3,4-trione

Systemtic Name: 2-ethyl-5-nitro-isoquinoline-1,3,4-trione Openeye Name: 2-ethyl-5-nitro-isoquinoline-1,3,4-trione CAS Name: 2-ethyl-5-nitroisoquinoline-1,3,4-trione IUPAC Name: 2-ethyl-5-nitroisoquinoline-1,3,4-trione Traditional Name: 2-ethyl-5-nitro-isoquinoline-1,3,4-trione Formula: C11H8N2O5 MolecularWeight: 248.19162

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)C1=O

Isomeric SMILES

CCN1C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)C1=O

InChI

InChI=1S/C11H8N2O5/c1-2-12-10(15)6-4-3-5-7(13(17)18)8(6)9(14)11(12)16/h3-5H,2H2,1H3