1-[2-(dimethylazaniumyl)ethyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate

Systemtic Name: 1-[2-(dimethylazaniumyl)ethyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate Openeye Name: 1-[2-(dimethylammonio)ethyl]-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2-(3-pyridyl)-2H-pyrrol-4-olate CAS Name: 1-[2-(dimethylammonio)ethyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: 1-[2-(dimethylazaniumyl)ethyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate Traditional Name: 1-[2-(dimethylammonio)ethyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-(3-pyridyl)-3-pyrrolin-3-olate Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CN=CC=C4

Isomeric SMILES

C[NH+](C)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CN=CC=C4

InChI

InChI=1S/C23H23N3O5/c1-25(2)10-11-26-19(15-7-5-9-24-13-15)18(21(28)23(26)29)20(27)17-12-14-6-4-8-16(30-3)22(14)31-17/h4-9,12-13,19,28H,10-11H2,1-3H3