2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethanesulfonic acid

Systemtic Name: 2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethanesulfonic acid Openeye Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethanesulfonic acid CAS Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethanesulfonic acid IUPAC Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethanesulfonic acid Traditional Name: 2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]ethanesulfonic acid Formula: C11H12N4O7S MolecularWeight: 344.30058

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O7S/c16-10-11(17)14-9-6(5-12-1-2-23(20,21)22)3-7(15(18)19)4-8(9)13-10/h3-4,12H,1-2,5H2,(H,13,16)(H,14,17)(H,20,21,22)