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

Systemtic Name: N-[1-(4-methoxyphenyl)-2-methyl-propyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[1-(4-methoxyphenyl)-2-methyl-propyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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