N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C16H14N4O5 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5/c1-16(8-17,9-5-6-9)18-12(21)7-19-14(22)10-3-2-4-11(20(24)25)13(10)15(19)23/h2-4,9H,5-7H2,1H3,(H,18,21)