7-[[butyl(methyl)amino]methyl]-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: 7-[[butyl(methyl)amino]methyl]-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 7-[[butyl(methyl)amino]methyl]-6-hydroxy-2-[(4-nitrophenyl)methylene]benzofuran-3-one CAS Name: 7-[[butyl(methyl)amino]methyl]-6-hydroxy-2-[(4-nitrophenyl)methylidene]-3-benzofuranone IUPAC Name: 7-[[butyl(methyl)amino]methyl]-6-hydroxy-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one Traditional Name: 7-[[butyl(methyl)amino]methyl]-6-hydroxy-2-(4-nitrobenzylidene)coumaran-3-one Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN(C)CC1=C(C=CC2=C1OC(=CC3=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