2-ethyl-1,3,4-tris(oxidanylidene)isoquinoline-5-carbonitrile

Systemtic Name: 2-ethyl-1,3,4-tris(oxidanylidene)isoquinoline-5-carbonitrile Openeye Name: 2-ethyl-1,3,4-trioxo-isoquinoline-5-carbonitrile CAS Name: 2-ethyl-1,3,4-trioxo-5-isoquinolinecarbonitrile IUPAC Name: 2-ethyl-1,3,4-trioxoisoquinoline-5-carbonitrile Traditional Name: 2-ethyl-1,3,4-triketo-isoquinoline-5-carbonitrile Formula: C12H8N2O3 MolecularWeight: 228.20352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC(=C2C(=O)C1=O)C#N

Isomeric SMILES

CCN1C(=O)C2=CC=CC(=C2C(=O)C1=O)C#N

InChI

InChI=1S/C12H8N2O3/c1-2-14-11(16)8-5-3-4-7(6-13)9(8)10(15)12(14)17/h3-5H,2H2,1H3