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

Systemtic Name: 1-[[7-cyano-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-ethyl-amino]ethylphosphonic acid Openeye Name: 1-[(7-cyano-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-ethyl-amino]ethylphosphonic acid CAS Name: 1-[(7-cyano-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-ethylamino]ethylphosphonic acid IUPAC Name: 1-[(7-cyano-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-ethylamino]ethylphosphonic acid Traditional Name: 1-[(7-cyano-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methyl-ethyl-amino]ethylphosphonic acid Formula: C14H17N4O5P MolecularWeight: 352.282341

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C2C(=CC(=C1)C#N)NC(=O)C(=O)N2)C(C)P(=O)(O)O

Isomeric SMILES

CCN(CC1=C2C(=CC(=C1)C#N)NC(=O)C(=O)N2)C(C)P(=O)(O)O

InChI

InChI=1S/C14H17N4O5P/c1-3-18(8(2)24(21,22)23)7-10-4-9(6-15)5-11-12(10)17-14(20)13(19)16-11/h4-5,8H,3,7H2,1-2H3,(H,16,19)(H,17,20)(H2,21,22,23)