2-[2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(5-ethyl-2-thienyl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(5-ethyl-2-thiophenyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(5-ethyl-2-thienyl)-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(S1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5S/c1-2-9-6-7-13(24-9)12(19)8-17-15(20)10-4-3-5-11(18(22)23)14(10)16(17)21/h3-7H,2,8H2,1H3