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

Systemtic Name: [6-nitro-2,3-bis(oxidanylidene)-7-thiomorpholin-4-yl-4H-quinoxalin-1-yl]methylphosphonic acid Openeye Name: (6-nitro-2,3-dioxo-7-thiomorpholino-4H-quinoxalin-1-yl)methylphosphonic acid CAS Name: (6-nitro-2,3-dioxo-7-thiomorpholin-4-yl-4H-quinoxalin-1-yl)methylphosphonic acid IUPAC Name: (6-nitro-2,3-dioxo-7-thiomorpholin-4-yl-4H-quinoxalin-1-yl)methylphosphonic acid Traditional Name: (2,3-diketo-6-nitro-7-thiomorpholino-4H-quinoxalin-1-yl)methylphosphonic acid Formula: C13H15N4O7PS MolecularWeight: 402.319561

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1CSCCN1C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N4O7PS/c18-12-13(19)16(7-25(22,23)24)9-6-10(15-1-3-26-4-2-15)11(17(20)21)5-8(9)14-12/h5-6H,1-4,7H2,(H,14,18)(H2,22,23,24)