N-[1-(4-methoxyphenyl)-2-methyl-propyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[1-(4-methoxyphenyl)-2-methyl-propyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[1-(4-methoxyphenyl)-2-methyl-propyl]-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-[1-(4-methoxyphenyl)-2-methyl-propyl]acetamide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-12(2)19(13-4-7-15(30-3)8-5-13)22-18(25)11-23-20(26)16-9-6-14(24(28)29)10-17(16)21(23)27/h4-10,12,19H,11H2,1-3H3,(H,22,25)