butyl-methyl-[[(2E)-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: butyl-methyl-[[(2E)-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: butyl-[[(2E)-6-hydroxy-2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]-methyl-ammonium CAS Name: butyl-[[(2E)-6-hydroxy-2-[(4-nitrophenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]-methylammonium IUPAC Name: butyl-[[(2E)-6-hydroxy-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium Traditional Name: butyl-[[(2E)-6-hydroxy-3-keto-2-(4-nitrobenzylidene)coumaran-7-yl]methyl]-methyl-ammonium Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)[N+](=O)[O-])C2=O)O

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1O/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C2=O)O

InChI

InChI=1S/C21H22N2O5/c1-3-4-11-22(2)13-17-18(24)10-9-16-20(25)19(28-21(16)17)12-14-5-7-15(8-6-14)23(26)27/h5-10,12,24H,3-4,11,13H2,1-2H3/p+1/b19-12+