3-[7-azanyl-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]benzenesulfonic acid

Systemtic Name: 3-[7-azanyl-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]benzenesulfonic acid Openeye Name: 3-(7-amino-2,3-dioxo-4H-quinoxalin-1-yl)benzenesulfonic acid CAS Name: 3-(7-amino-2,3-dioxo-4H-quinoxalin-1-yl)benzenesulfonic acid IUPAC Name: 3-(7-amino-2,3-dioxo-4H-quinoxalin-1-yl)benzenesulfonic acid Traditional Name: 3-(7-amino-2,3-diketo-4H-quinoxalin-1-yl)besylic acid Formula: C14H11N3O5S MolecularWeight: 333.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)N2C3=C(C=CC(=C3)N)NC(=O)C2=O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)N2C3=C(C=CC(=C3)N)NC(=O)C2=O

InChI

InChI=1S/C14H11N3O5S/c15-8-4-5-11-12(6-8)17(14(19)13(18)16-11)9-2-1-3-10(7-9)23(20,21)22/h1-7H,15H2,(H,16,18)(H,20,21,22)