(2Z)-7-[(dimethylazaniumyl)methyl]-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dimethylazaniumyl)methyl]-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dimethylammonio)methyl]-3-oxo-2-(3-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[(dimethylammonio)methyl]-3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[(dimethylazaniumyl)methyl]-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dimethylammonio)methyl]-3-keto-2-(3-pyridylmethylene)coumaran-6-olate Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3/c1-19(2)10-13-14(20)6-5-12-16(21)15(22-17(12)13)8-11-4-3-7-18-9-11/h3-9,20H,10H2,1-2H3/b15-8-