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

Systemtic Name: bis(oxidanyl)-oxidanylidene-phosphanium; 7-nitro-5-(pyrrolidin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione Openeye Name: dihydroxy(oxo)phosphonium; 7-nitro-5-(pyrrolidin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione CAS Name: dihydroxy(oxo)phosphonium; 7-nitro-5-(1-pyrrolidinylmethyl)-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: dihydroxy(oxo)phosphanium; 7-nitro-5-(pyrrolidin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione Traditional Name: dihydroxy(keto)phosphonium; 7-nitro-5-(pyrrolidinomethyl)-1,4-dihydroquinoxaline-2,3-quinone Formula: C13H16N4O7P+ MolecularWeight: 371.262501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].O[P+](=O)O

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].O[P+](=O)O

InChI

InChI=1S/C13H14N4O4.HO3P/c18-12-13(19)15-11-8(7-16-3-1-2-4-16)5-9(17(20)21)6-10(11)14-12;1-4(2)3/h5-6H,1-4,7H2,(H,14,18)(H,15,19);(H-,1,2,3)/p+1