4-[2,5-bis(oxidanylidene)pyrrol-1-yl]isoquinoline-1-carbonitrile

Systemtic Name: 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]isoquinoline-1-carbonitrile Openeye Name: 4-(2,5-dioxopyrrol-1-yl)isoquinoline-1-carbonitrile CAS Name: 4-(2,5-dioxo-1-pyrrolyl)-1-isoquinolinecarbonitrile IUPAC Name: 4-(2,5-dioxopyrrol-1-yl)isoquinoline-1-carbonitrile Traditional Name: 4-maleimidoisoquinoline-1-carbonitrile Formula: C14H7N3O2 MolecularWeight: 249.22428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2C#N)N3C(=O)C=CC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2C#N)N3C(=O)C=CC3=O

InChI

InChI=1S/C14H7N3O2/c15-7-11-9-3-1-2-4-10(9)12(8-16-11)17-13(18)5-6-14(17)19/h1-6,8H