2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanenitrile

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanenitrile Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetonitrile CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetonitrile IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetonitrile Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetonitrile Formula: C10H5N3O4 MolecularWeight: 231.1644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC#N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC#N

InChI

InChI=1S/C10H5N3O4/c11-4-5-12-9(14)6-2-1-3-7(13(16)17)8(6)10(12)15/h1-3H,5H2