N-[1-(4-ethylphenyl)-2-methyl-propyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[1-(4-ethylphenyl)-2-methyl-propyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[1-(4-ethylphenyl)-2-methyl-propyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[1-(4-ethylphenyl)-2-methyl-propyl]acetamide Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-4-14-8-10-15(11-9-14)20(13(2)3)23-18(26)12-24-21(27)16-6-5-7-17(25(29)30)19(16)22(24)28/h5-11,13,20H,4,12H2,1-3H3,(H,23,26)