(2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[[methyl-(phenylmethyl)azaniumyl]methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[[methyl-(phenylmethyl)azaniumyl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[[benzyl(methyl)ammonio]methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-4-methyl-7-[[methyl-(phenylmethyl)ammonio]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[benzyl(methyl)azaniumyl]methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[[benzyl(methyl)ammonio]methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)C[NH+](C)CC5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=CC=CC=C4O3)/O2)C[NH+](C)CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C27H23NO4/c1-17-12-22(29)21(16-28(2)15-18-8-4-3-5-9-18)27-25(17)26(30)24(32-27)14-20-13-19-10-6-7-11-23(19)31-20/h3-14,29H,15-16H2,1-2H3/b24-14-