2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]propanamide

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]propanamide Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-[phenyl(2-thienyl)methyl]propanamide CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)-N-[phenyl(thiophen-2-yl)methyl]propanamide IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[phenyl(2-thienyl)methyl]propionamide Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CS2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CS2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

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