N-[(4-methylphenyl)-thiophen-2-yl-methyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[(4-methylphenyl)-thiophen-2-yl-methyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-[p-tolyl(2-thienyl)methyl]acetamide CAS Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-[p-tolyl(2-thienyl)methyl]acetamide Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5S/c1-13-4-6-14(7-5-13)20(18-3-2-10-31-18)23-19(26)12-24-21(27)16-9-8-15(25(29)30)11-17(16)22(24)28/h2-11,20H,12H2,1H3,(H,23,26)