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

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(3-methyl-1-phenyl-butyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(3-methyl-1-phenylbutyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(3-methyl-1-phenylbutyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(3-methyl-1-phenyl-butyl)acetamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-13(2)11-16(14-7-4-3-5-8-14)22-18(25)12-23-20(26)15-9-6-10-17(24(28)29)19(15)21(23)27/h3-10,13,16H,11-12H2,1-2H3,(H,22,25)