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

Systemtic Name: methyl-[[(2Z)-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[(2Z)-6-hydroxy-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]-methyl-ammonium CAS Name: [(2Z)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-3-oxo-7-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(2Z)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium Traditional Name: benzyl-[[(2Z)-6-hydroxy-3-keto-2-(3-nitrobenzylidene)coumaran-7-yl]methyl]-methyl-ammonium Formula: C24H21N2O5+ MolecularWeight: 417.43394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/C3=O)O

InChI

InChI=1S/C24H20N2O5/c1-25(14-16-6-3-2-4-7-16)15-20-21(27)11-10-19-23(28)22(31-24(19)20)13-17-8-5-9-18(12-17)26(29)30/h2-13,27H,14-15H2,1H3/p+1/b22-13-