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

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propanamide CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propionamide Formula: C23H15N3O5S MolecularWeight: 445.4473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#CC2=CC=CS2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#CC2=CC=CS2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O5S/c1-14(25-22(28)18-8-3-9-19(26(30)31)20(18)23(25)29)21(27)24-16-6-2-5-15(13-16)10-11-17-7-4-12-32-17/h2-9,12-14H,1H3,(H,24,27)