bis(oxidanyl)-oxidanylidene-phosphanium; 5-(butylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: bis(oxidanyl)-oxidanylidene-phosphanium; 5-(butylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-(butylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione; dihydroxy(oxo)phosphonium CAS Name: 5-(butylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione; dihydroxy(oxo)phosphonium IUPAC Name: 5-(butylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione; dihydroxy(oxo)phosphanium Traditional Name: 5-(butylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-quinone; dihydroxy(keto)phosphonium Formula: C13H18N4O7P+ MolecularWeight: 373.278381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-].O[P+](=O)O

Isomeric SMILES

CCCCNCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-].O[P+](=O)O

InChI

InChI=1S/C13H16N4O4.HO3P/c1-2-3-4-14-7-8-5-9(17(20)21)6-10-11(8)16-13(19)12(18)15-10;1-4(2)3/h5-6,14H,2-4,7H2,1H3,(H,15,18)(H,16,19);(H-,1,2,3)/p+1