4-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]butyl hydrogen sulfate

Systemtic Name: 4-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]butyl hydrogen sulfate Openeye Name: 4-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butyl hydrogen sulfate CAS Name: sulfuric acid 4-[7-(1-imidazolyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]butyl ester IUPAC Name: 4-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butyl hydrogen sulfate Traditional Name: sulfuric acid 4-(7-imidazol-1-yl-2,3-diketo-6-nitro-4H-quinoxalin-1-yl)butyl ester Formula: C15H15N5O8S MolecularWeight: 425.3733

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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)CCCCOS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O8S/c21-14-15(22)19(4-1-2-6-28-29(25,26)27)11-8-12(18-5-3-16-9-18)13(20(23)24)7-10(11)17-14/h3,5,7-9H,1-2,4,6H2,(H,17,21)(H,25,26,27)