bis(2-methoxyethyl)-[[(2Z)-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: bis(2-methoxyethyl)-[[(2Z)-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-3-oxo-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(3-nitrobenzylidene)coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C22H25N2O7+ MolecularWeight: 429.4431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O7/c1-29-10-8-23(9-11-30-2)14-18-19(25)7-6-17-21(26)20(31-22(17)18)13-15-4-3-5-16(12-15)24(27)28/h3-7,12-13,25H,8-11,14H2,1-2H3/p+1/b20-13-