N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[4-(4-tert-amylphenoxy)phenyl]-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O6/c1-4-27(2,3)17-5-10-20(11-6-17)36-21-12-7-18(8-13-21)28-24(31)16-29-25(32)22-14-9-19(30(34)35)15-23(22)26(29)33/h5-15H,4,16H2,1-3H3,(H,28,31)