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

Systemtic Name: 2-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanenitrile Openeye Name: 2-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetonitrile CAS Name: 2-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)acetonitrile IUPAC Name: 2-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetonitrile Traditional Name: 2-(1,3-diketo-5,8-dinitro-benzo[de]isoquinolin-2-yl)acetonitrile Formula: C14H6N4O6 MolecularWeight: 326.22064

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H6N4O6/c15-1-2-16-13(19)10-5-8(17(21)22)3-7-4-9(18(23)24)6-11(12(7)10)14(16)20/h3-6H,2H2