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

Systemtic Name: 6-imidazol-1-yl-7-nitro-4-pentyl-1H-quinoxaline-2,3-dione sulfate Openeye Name: 6-imidazol-1-yl-7-nitro-4-pentyl-1H-quinoxaline-2,3-dione sulfate CAS Name: 6-(1-imidazolyl)-7-nitro-4-pentyl-1H-quinoxaline-2,3-dione sulfate IUPAC Name: 6-imidazol-1-yl-7-nitro-4-pentyl-1H-quinoxaline-2,3-dione sulfate Traditional Name: 4-amyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-quinone sulfate Formula: C16H17N5O8S-2 MolecularWeight: 439.39988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H17N5O4.H2O4S/c1-2-3-4-6-20-12-9-13(19-7-5-17-10-19)14(21(24)25)8-11(12)18-15(22)16(20)23;1-5(2,3)4/h5,7-10H,2-4,6H2,1H3,(H,18,22);(H2,1,2,3,4)/p-2