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

Systemtic Name: 3-methyl-N-[4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]phenyl]butanamide CAS Name: 3-methyl-N-[4-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]butanamide Traditional Name: N-[4-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]phenyl]-3-methyl-butyramide Formula: C22H22N4O6 MolecularWeight: 438.43328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c1-12(2)11-18(27)23-14-7-9-15(10-8-14)24-20(28)13(3)25-21(29)16-5-4-6-17(26(31)32)19(16)22(25)30/h4-10,12-13H,11H2,1-3H3,(H,23,27)(H,24,28)