2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-phenylbutan-2-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C(C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

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