N-butan-2-yl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(phenylmethyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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