(4-nitro-2-thiophen-2-yl-phenyl) 2,3-bis(oxidanylidene)-1,4-dihydroquinoxaline-6-sulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 2,3-bis(oxidanylidene)-1,4-dihydroquinoxaline-6-sulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonate CAS Name: 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonate Traditional Name: 2,3-diketo-1,4-dihydroquinoxaline-6-sulfonic acid [4-nitro-2-(2-thienyl)phenyl] ester Formula: C18H11N3O7S2 MolecularWeight: 445.42584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4

Isomeric SMILES

C1=CSC(=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4

InChI

InChI=1S/C18H11N3O7S2/c22-17-18(23)20-14-9-11(4-5-13(14)19-17)30(26,27)28-15-6-3-10(21(24)25)8-12(15)16-2-1-7-29-16/h1-9H,(H,19,22)(H,20,23)