6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-phenylmethoxyphenyl)hexanamide

Systemtic Name: 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-phenylmethoxyphenyl)hexanamide Openeye Name: N-(4-benzyloxyphenyl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)-N-(4-phenylmethoxyphenyl)hexanamide IUPAC Name: 6-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenylmethoxyphenyl)hexanamide Traditional Name: N-(4-benzoxyphenyl)-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O6/c31-24(28-20-13-15-21(16-14-20)36-18-19-8-3-1-4-9-19)12-5-2-6-17-29-26(32)22-10-7-11-23(30(34)35)25(22)27(29)33/h1,3-4,7-11,13-16H,2,5-6,12,17-18H2,(H,28,31)