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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C=CC(=C3)N)NC(=O)C2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C=CC(=C3)N)NC(=O)C2=O)S(=O)(=O)O

InChI

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