[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C17H11N3O8S MolecularWeight: 417.34954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OCC(=O)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OCC(=O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H11N3O8S/c21-12(18-15(23)11-5-2-6-29-11)8-28-13(22)7-19-16(24)9-3-1-4-10(20(26)27)14(9)17(19)25/h1-6H,7-8H2,(H,18,21,23)