4-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]butylsulfamic acid

Systemtic Name: 4-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]butylsulfamic acid Openeye Name: 4-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butylsulfamic acid CAS Name: 4-[7-(1-imidazolyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]butylsulfamic acid IUPAC Name: 4-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butylsulfamic acid Traditional Name: 4-(7-imidazol-1-yl-2,3-diketo-6-nitro-4H-quinoxalin-1-yl)butylsulfamic acid Formula: C15H16N6O7S MolecularWeight: 424.38854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CCCCNS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CCCCNS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O7S/c22-14-15(23)20(5-2-1-3-17-29(26,27)28)11-8-12(19-6-4-16-9-19)13(21(24)25)7-10(11)18-14/h4,6-9,17H,1-3,5H2,(H,18,22)(H,26,27,28)