[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H11BrN2O7S MolecularWeight: 467.24744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H11BrN2O7S/c18-13-5-4-12(28-13)11(21)8-27-14(22)6-7-19-16(23)9-2-1-3-10(20(25)26)15(9)17(19)24/h1-5H,6-8H2