2-[4-(dimethyl-$l^{4}-sulfanylidene)-3-oxidanylidene-butyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[4-(dimethyl-$l^{4}-sulfanylidene)-3-oxidanylidene-butyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[4-(dimethyl-$l^{4}-sulfanylidene)-3-oxo-butyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[4-(dimethyl-$l^{4}-sulfanylidene)-3-oxobutyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[4-(dimethyl-$l^{4}-sulfanylidene)-3-oxobutyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-(4-dimethylsulfuranylidene-3-keto-butyl)-4-nitro-isoindoline-1,3-quinone Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=CC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CS(=CC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H14N2O5S/c1-22(2)8-9(17)6-7-15-13(18)10-4-3-5-11(16(20)21)12(10)14(15)19/h3-5,8H,6-7H2,1-2H3