sodium; [[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]methylphosphonic acid; 2-propylpentanoate

Systemtic Name: sodium; [[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]methylphosphonic acid; 2-propylpentanoate Openeye Name: sodium; [(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid; 2-propylpentanoate CAS Name: sodium; [(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid; 2-propylpentanoate IUPAC Name: sodium; [(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid; 2-propylpentanoate Traditional Name: sodium; [(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid; 2-propylvalerate Formula: C18H26N4NaO9P MolecularWeight: 496.383971

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)[O-].C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCP(=O)(O)O)[N+](=O)[O-].[Na+]

Isomeric SMILES

CCCC(CCC)C(=O)[O-].C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCP(=O)(O)O)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C10H11N4O7P.C8H16O2.Na/c15-9-10(16)13-8-5(3-11-4-22(19,20)21)1-6(14(17)18)2-7(8)12-9;1-3-5-7(6-4-2)8(9)10;/h1-2,11H,3-4H2,(H,12,15)(H,13,16)(H2,19,20,21);7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1