bis(oxidanyl)-oxidanylidene-phosphanium; 5-[methyl-(phenylmethyl)amino]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: bis(oxidanyl)-oxidanylidene-phosphanium; 5-[methyl-(phenylmethyl)amino]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[benzyl(methyl)amino]-7-nitro-1,4-dihydroquinoxaline-2,3-dione; dihydroxy(oxo)phosphonium CAS Name: dihydroxy(oxo)phosphonium; 5-[methyl-(phenylmethyl)amino]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[benzyl(methyl)amino]-7-nitro-1,4-dihydroquinoxaline-2,3-dione; dihydroxy(oxo)phosphanium Traditional Name: 5-[benzyl(methyl)amino]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone; dihydroxy(keto)phosphonium Formula: C16H16N4O7P+ MolecularWeight: 407.294601

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C3C(=CC(=C2)[N+](=O)[O-])NC(=O)C(=O)N3.O[P+](=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C3C(=CC(=C2)[N+](=O)[O-])NC(=O)C(=O)N3.O[P+](=O)O

InChI

InChI=1S/C16H14N4O4.HO3P/c1-19(9-10-5-3-2-4-6-10)13-8-11(20(23)24)7-12-14(13)18-16(22)15(21)17-12;1-4(2)3/h2-8H,9H2,1H3,(H,17,21)(H,18,22);(H-,1,2,3)/p+1