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

Systemtic Name: [7-(2-methylimidazol-1-yl)-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]methylphosphonic acid Openeye Name: [7-(2-methylimidazol-1-yl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid CAS Name: [7-(2-methyl-1-imidazolyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid IUPAC Name: [7-(2-methylimidazol-1-yl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid Traditional Name: [2,3-diketo-7-(2-methylimidazol-1-yl)-6-nitro-4H-quinoxalin-1-yl]methylphosphonic acid Formula: C13H12N5O7P MolecularWeight: 381.237441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CN1C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N5O7P/c1-7-14-2-3-16(7)10-5-9-8(4-11(10)18(21)22)15-12(19)13(20)17(9)6-26(23,24)25/h2-5H,6H2,1H3,(H,15,19)(H2,23,24,25)