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

Systemtic Name: 3-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]benzenecarbonitrile Openeye Name: 3-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)ethyl]benzonitrile CAS Name: 3-[2-(4-nitro-1,3-dioxo-2-isoindolyl)ethyl]benzonitrile IUPAC Name: 3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]benzonitrile Traditional Name: 3-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)ethyl]benzonitrile Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H11N3O4/c18-10-12-4-1-3-11(9-12)7-8-19-16(21)13-5-2-6-14(20(23)24)15(13)17(19)22/h1-6,9H,7-8H2