1-methyl-4-(2-morpholin-4-ium-4-ylidene-1,2-diphenyl-ethyl)-6,8-dinitro-N-oxidanyl-2-oxidanylidene-4H-quinolin-3-imine oxide

Systemtic Name: 1-methyl-4-(2-morpholin-4-ium-4-ylidene-1,2-diphenyl-ethyl)-6,8-dinitro-N-oxidanyl-2-oxidanylidene-4H-quinolin-3-imine oxide Openeye Name: N-hydroxy-1-methyl-4-(2-morpholin-4-ium-4-ylidene-1,2-diphenyl-ethyl)-6,8-dinitro-2-oxo-4H-quinolin-3-imine oxide CAS Name: N-hydroxy-1-methyl-4-[2-(4-morpholin-4-iumylidene)-1,2-diphenylethyl]-6,8-dinitro-2-oxo-4H-quinolin-3-imine oxide IUPAC Name: N-hydroxy-1-methyl-4-(2-morpholin-4-ium-4-ylidene-1,2-diphenylethyl)-6,8-dinitro-2-oxo-4H-quinolin-3-imine oxide Traditional Name: N-hydroxy-2-keto-1-methyl-4-(2-morpholin-4-ium-4-ylidene-1,2-diphenyl-ethyl)-6,8-dinitro-4H-quinolin-3-imine oxide Formula: C28H26N5O8+ MolecularWeight: 560.53474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C(C(=[N+](O)[O-])C1=O)C(C3=CC=CC=C3)C(=[N+]4CCOCC4)C5=CC=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2C(/C(=[N+](/O)\[O-])/C1=O)C(C3=CC=CC=C3)C(=[N+]4CCOCC4)C5=CC=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H26N5O8/c1-29-26-21(16-20(31(35)36)17-22(26)32(37)38)24(27(28(29)34)33(39)40)23(18-8-4-2-5-9-18)25(19-10-6-3-7-11-19)30-12-14-41-15-13-30/h2-11,16-17,23-24H,12-15H2,1H3,(H,39,40)/q+1