2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-nitrophenyl)-3-thiophen-2-yl-propanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-nitrophenyl)-3-thiophen-2-yl-propanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(3-nitrophenyl)-3-(2-thienyl)propanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)-3-thiophen-2-ylpropanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)-3-thiophen-2-ylpropanamide Traditional Name: N-(3-nitrophenyl)-2-phthalimido-3-(2-thienyl)propionamide Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CC=CS3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CC=CS3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S/c25-19(22-13-5-3-6-14(11-13)24(28)29)18(12-15-7-4-10-30-15)23-20(26)16-8-1-2-9-17(16)21(23)27/h1-11,18H,12H2,(H,22,25)