3-(3,4-dimethoxyphenyl)-8-[(2-methoxyethylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(2-methoxyethylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(2-methoxyethylammonio)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(2-methoxyethylammonio)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(2-methoxyethylazaniumyl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-2-keto-8-[(2-methoxyethylammonio)methyl]chromen-7-olate Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH2+]CC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)[O-]

Isomeric SMILES

COCC[NH2+]CC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)[O-]

InChI

InChI=1S/C21H23NO6/c1-25-9-8-22-12-16-17(23)6-4-14-10-15(21(24)28-20(14)16)13-5-7-18(26-2)19(11-13)27-3/h4-7,10-11,22-23H,8-9,12H2,1-3H3