[6-(4-cyano-5-methyl-imidazol-1-yl)-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]methylphosphonic acid

Systemtic Name: [6-(4-cyano-5-methyl-imidazol-1-yl)-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]methylphosphonic acid Openeye Name: [6-(4-cyano-5-methyl-imidazol-1-yl)-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid CAS Name: [6-(4-cyano-5-methyl-1-imidazolyl)-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid IUPAC Name: [6-(4-cyano-5-methylimidazol-1-yl)-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid Traditional Name: [6-(4-cyano-5-methyl-imidazol-1-yl)-2,3-diketo-4H-quinoxalin-1-yl]methylphosphonic acid Formula: C14H12N5O5P MolecularWeight: 361.249341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1C2=CC3=C(C=C2)N(C(=O)C(=O)N3)CP(=O)(O)O)C#N

Isomeric SMILES

CC1=C(N=CN1C2=CC3=C(C=C2)N(C(=O)C(=O)N3)CP(=O)(O)O)C#N

InChI

InChI=1S/C14H12N5O5P/c1-8-11(5-15)16-6-18(8)9-2-3-12-10(4-9)17-13(20)14(21)19(12)7-25(22,23)24/h2-4,6H,7H2,1H3,(H,17,20)(H2,22,23,24)