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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanenitrile Openeye Name: 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetonitrile CAS Name: 2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)acetonitrile IUPAC Name: 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetonitrile Traditional Name: 2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)acetonitrile Formula: C14H7N3O4 MolecularWeight: 281.22308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H7N3O4/c15-4-5-16-13(18)10-3-1-2-8-6-9(17(20)21)7-11(12(8)10)14(16)19/h1-3,6-7H,5H2