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

Systemtic Name: N-(cyclohexylmethyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(cyclohexylmethyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(cyclohexylmethyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(cyclohexylmethyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(cyclohexylmethyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5/c21-14(18-9-11-5-2-1-3-6-11)10-19-16(22)12-7-4-8-13(20(24)25)15(12)17(19)23/h4,7-8,11H,1-3,5-6,9-10H2,(H,18,21)