N-[3-[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-3-nitro-benzamide Openeye Name: N-[3-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindolin-5-yl]oxyphenyl]-3-nitro-benzamide CAS Name: N-[3-[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]oxy]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-3-nitrobenzamide Traditional Name: N-[3-[1,3-diketo-2-(tetrahydrofurfuryl)isoindolin-5-yl]oxyphenyl]-3-nitro-benzamide Formula: C26H21N3O7 MolecularWeight: 487.46084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O7/c30-24(16-4-1-6-18(12-16)29(33)34)27-17-5-2-7-19(13-17)36-20-9-10-22-23(14-20)26(32)28(25(22)31)15-21-8-3-11-35-21/h1-2,4-7,9-10,12-14,21H,3,8,11,15H2,(H,27,30)