9-nitro-11-oxidanylidene-10aH-[1,3]benzothiazolo[3,2-b]isoquinolin-12-ium-6-carbonitrile

Systemtic Name: 9-nitro-11-oxidanylidene-10aH-[1,3]benzothiazolo[3,2-b]isoquinolin-12-ium-6-carbonitrile Openeye Name: 9-nitro-11-oxo-10aH-[1,3]benzothiazolo[3,2-b]isoquinolin-12-ium-6-carbonitrile CAS Name: 9-nitro-11-oxo-10aH-[1,3]benzothiazolo[3,2-b]isoquinolin-12-ium-6-carbonitrile IUPAC Name: 9-nitro-11-oxo-10aH-[1,3]benzothiazolo[3,2-b]isoquinolin-12-ium-6-carbonitrile Traditional Name: 11-keto-9-nitro-10aH-[1,3]benzothiazol[3,2-b]isoquinolin-12-ium-6-carbonitrile Formula: C16H8N3O3S+ MolecularWeight: 322.31802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+]3=C(S2)C(=C4C=CC(=CC4C3=O)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)[N+]3=C(S2)C(=C4C=CC(=CC4C3=O)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H8N3O3S/c17-8-12-10-6-5-9(19(21)22)7-11(10)15(20)18-13-3-1-2-4-14(13)23-16(12)18/h1-7,11H/q+1