1-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate

Systemtic Name: 1-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate Openeye Name: 1-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate CAS Name: 1-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate IUPAC Name: 1-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate Traditional Name: 1-[(3-carbethoxy-4,5-dimethyl-2-thienyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate Formula: C22H21N2O6S- MolecularWeight: 441.47694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)N=CC2=C(C(=CC3=C2C4=C(O3)CCCC4)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)N=CC2=C(C(=CC3=C2C4=C(O3)CCCC4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H22N2O6S/c1-4-29-22(26)18-11(2)12(3)31-21(18)23-10-14-19-13-7-5-6-8-16(13)30-17(19)9-15(20(14)25)24(27)28/h9-10,25H,4-8H2,1-3H3/p-1