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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-13-11-14(23-9-2-3-10-23)7-8-16(13)22-18(26)12-24-20(27)15-5-4-6-17(25(29)30)19(15)21(24)28/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,26)