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

Systemtic Name: [7-(1-methylpiperazin-2-yl)-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]methylphosphonic acid Openeye Name: [7-(1-methylpiperazin-2-yl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid CAS Name: [7-(1-methyl-2-piperazinyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid IUPAC Name: [7-(1-methylpiperazin-2-yl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid Traditional Name: [2,3-diketo-7-(1-methylpiperazin-2-yl)-6-nitro-4H-quinoxalin-1-yl]methylphosphonic acid Formula: C14H18N5O7P MolecularWeight: 399.295781

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1C2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3CP(=O)(O)O

Isomeric SMILES

CN1CCNCC1C2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3CP(=O)(O)O

InChI

InChI=1S/C14H18N5O7P/c1-17-3-2-15-6-12(17)8-4-11-9(5-10(8)19(22)23)16-13(20)14(21)18(11)7-27(24,25)26/h4-5,12,15H,2-3,6-7H2,1H3,(H,16,20)(H2,24,25,26)