2-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-1-benzothiophene-3-carbonitrile Openeye Name: 2-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzothiophene-3-carbonitrile CAS Name: 2-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-1-benzothiophene-3-carbonitrile IUPAC Name: 2-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-1-benzothiophene-3-carbonitrile Traditional Name: 2-(1,3-diketo-5,8-dinitro-benzo[de]isoquinolin-2-yl)benzothiophene-3-carbonitrile Formula: C21H8N4O6S MolecularWeight: 444.37642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)N3C(=O)C4=CC(=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)N3C(=O)C4=CC(=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C21H8N4O6S/c22-9-16-13-3-1-2-4-17(13)32-21(16)23-19(26)14-7-11(24(28)29)5-10-6-12(25(30)31)8-15(18(10)14)20(23)27/h1-8H