1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-3-nitro-pyrazole-4-carbonitrile

Systemtic Name: 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-3-nitro-pyrazole-4-carbonitrile Openeye Name: 1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-3-nitro-pyrazole-4-carbonitrile CAS Name: 1-[2-(1,3-dioxo-2-isoindolyl)ethyl]-3-nitro-4-pyrazolecarbonitrile IUPAC Name: 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-nitropyrazole-4-carbonitrile Traditional Name: 3-nitro-1-(2-phthalimidoethyl)pyrazole-4-carbonitrile Formula: C14H9N5O4 MolecularWeight: 311.25236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C=C(C(=N3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C=C(C(=N3)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H9N5O4/c15-7-9-8-17(16-12(9)19(22)23)5-6-18-13(20)10-3-1-2-4-11(10)14(18)21/h1-4,8H,5-6H2