2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanenitrile

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanenitrile Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetonitrile CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)acetonitrile IUPAC Name: 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetonitrile Traditional Name: 2-(1,3-diketo-5-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/c11-3-4-12-9(14)7-2-1-6(13(16)17)5-8(7)10(12)15/h1-2,5H,4H2