1-[[7-chloranyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-methyl-amino]ethylphosphonic acid

Systemtic Name: 1-[[7-chloranyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-methyl-amino]ethylphosphonic acid Openeye Name: 1-[(7-chloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methyl-amino]ethylphosphonic acid CAS Name: 1-[(7-chloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]ethylphosphonic acid IUPAC Name: 1-[(7-chloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]ethylphosphonic acid Traditional Name: 1-[(7-chloro-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methyl-methyl-amino]ethylphosphonic acid Formula: C12H15ClN3O5P MolecularWeight: 347.691361

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)CC1=CC(=CC2=C1NC(=O)C(=O)N2)Cl)P(=O)(O)O

Isomeric SMILES

CC(N(C)CC1=CC(=CC2=C1NC(=O)C(=O)N2)Cl)P(=O)(O)O

InChI

InChI=1S/C12H15ClN3O5P/c1-6(22(19,20)21)16(2)5-7-3-8(13)4-9-10(7)15-12(18)11(17)14-9/h3-4,6H,5H2,1-2H3,(H,14,17)(H,15,18)(H2,19,20,21)