(4-nitro-2-thiophen-2-yl-phenyl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid [4-nitro-2-(2-thienyl)phenyl] ester Formula: C18H12N2O7S2 MolecularWeight: 432.42708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4)OC1=O

InChI

InChI=1S/C18H12N2O7S2/c1-19-14-6-5-12(10-16(14)26-18(19)21)29(24,25)27-15-7-4-11(20(22)23)9-13(15)17-3-2-8-28-17/h2-10H,1H3