[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-ethanoyl-amino]methylphosphonic acid

Systemtic Name: [[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-ethanoyl-amino]methylphosphonic acid Openeye Name: [acetyl-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]amino]methylphosphonic acid CAS Name: [acetyl-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]amino]methylphosphonic acid IUPAC Name: [acetyl-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]amino]methylphosphonic acid Traditional Name: [acetyl-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methyl]amino]methylphosphonic acid Formula: C12H13BrN3O6P MolecularWeight: 406.125881

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC(=CC2=C1NC(=O)C(=O)N2)Br)CP(=O)(O)O

Isomeric SMILES

CC(=O)N(CC1=CC(=CC2=C1NC(=O)C(=O)N2)Br)CP(=O)(O)O

InChI

InChI=1S/C12H13BrN3O6P/c1-6(17)16(5-23(20,21)22)4-7-2-8(13)3-9-10(7)15-12(19)11(18)14-9/h2-3H,4-5H2,1H3,(H,14,18)(H,15,19)(H2,20,21,22)