(4-nitro-2-thiophen-2-yl-phenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate Traditional Name: 3-keto-4H-1,4-benzoxazine-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:

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C18H12N2O7S2/c21-18-10-26-16-6-4-12(9-14(16)19-18)29(24,25)27-15-5-3-11(20(22)23)8-13(15)17-2-1-7-28-17/h1-9H,10H2,(H,19,21)