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

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(4-pyrrolidinobenzyl)acetamide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c26-18(22-12-14-6-8-15(9-7-14)23-10-1-2-11-23)13-24-20(27)16-4-3-5-17(25(29)30)19(16)21(24)28/h3-9H,1-2,10-13H2,(H,22,26)