N-(1-cyclopropylethyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-(1-cyclopropylethyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(1-cyclopropylethyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(1-cyclopropylethyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(1-cyclopropylethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C22H21N3O5 MolecularWeight: 407.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5/c1-14(16-7-8-16)23(12-15-5-3-2-4-6-15)20(26)13-24-21(27)18-10-9-17(25(29)30)11-19(18)22(24)28/h2-6,9-11,14,16H,7-8,12-13H2,1H3