4-butyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate

Systemtic Name: 4-butyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate Openeye Name: 4-butyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate CAS Name: 4-butyl-6-(1-imidazolyl)-7-nitro-1H-quinoxaline-2,3-dione sulfate IUPAC Name: 4-butyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate Traditional Name: 4-butyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-quinone sulfate Formula: C15H15N5O8S-2 MolecularWeight: 425.3733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C15H15N5O4.H2O4S/c1-2-3-5-19-11-8-12(18-6-4-16-9-18)13(20(23)24)7-10(11)17-14(21)15(19)22;1-5(2,3)4/h4,6-9H,2-3,5H2,1H3,(H,17,21);(H2,1,2,3,4)/p-2