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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-propyl-ethanamide Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-propyl-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)-N-propylacetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-propylacetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(4-methylbenzyl)-N-propyl-acetamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-3-11-22(12-15-9-7-14(2)8-10-15)18(25)13-23-20(26)16-5-4-6-17(24(28)29)19(16)21(23)27/h4-10H,3,11-13H2,1-2H3