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

Systemtic Name: 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-phenethyl-hexanamide Openeye Name: 6-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-phenethyl-hexanamide CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)-N-phenethylhexanamide IUPAC Name: 6-(4-nitro-1,3-dioxoisoindol-2-yl)-N-phenethylhexanamide Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-phenethyl-hexanamide Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c26-19(23-14-13-16-8-3-1-4-9-16)12-5-2-6-15-24-21(27)17-10-7-11-18(25(29)30)20(17)22(24)28/h1,3-4,7-11H,2,5-6,12-15H2,(H,23,26)