[7-nitro-2,3-bis(oxidanylidene)-7-thiomorpholin-4-yl-4,4a-dihydroquinoxalin-1-yl]methylphosphonic acid

Systemtic Name: [7-nitro-2,3-bis(oxidanylidene)-7-thiomorpholin-4-yl-4,4a-dihydroquinoxalin-1-yl]methylphosphonic acid Openeye Name: (7-nitro-2,3-dioxo-7-thiomorpholino-4,4a-dihydroquinoxalin-1-yl)methylphosphonic acid CAS Name: (7-nitro-2,3-dioxo-7-thiomorpholin-4-yl-4,4a-dihydroquinoxalin-1-yl)methylphosphonic acid IUPAC Name: (7-nitro-2,3-dioxo-7-thiomorpholin-4-yl-4,4a-dihydroquinoxalin-1-yl)methylphosphonic acid Traditional Name: (2,3-diketo-7-nitro-7-thiomorpholino-4,4a-dihydroquinoxalin-1-yl)methylphosphonic acid Formula: C13H17N4O7PS MolecularWeight: 404.335441

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2(C=CC3C(=C2)N(C(=O)C(=O)N3)CP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1CSCCN1C2(C=CC3C(=C2)N(C(=O)C(=O)N3)CP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17N4O7PS/c18-11-12(19)16(8-25(22,23)24)10-7-13(17(20)21,2-1-9(10)14-11)15-3-5-26-6-4-15/h1-2,7,9H,3-6,8H2,(H,14,18)(H2,22,23,24)