(2R)-2-methyl-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanenitrile

Systemtic Name: (2R)-2-methyl-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanenitrile Openeye Name: (2R)-2-methyl-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanenitrile CAS Name: (2R)-2-methyl-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanenitrile IUPAC Name: (2R)-2-methyl-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanenitrile Traditional Name: (2R)-3-(1,3-diketo-5-nitro-isoindolin-2-yl)-2-methyl-propionitrile Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H9N3O4/c1-7(5-13)6-14-11(16)9-3-2-8(15(18)19)4-10(9)12(14)17/h2-4,7H,6H2,1H3/t7-/m0/s1