8-[(dimethylazaniumyl)methyl]-3-(4-ethoxycarbonylphenoxy)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[(dimethylazaniumyl)methyl]-3-(4-ethoxycarbonylphenoxy)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(dimethylammonio)methyl]-3-(4-ethoxycarbonylphenoxy)-4-oxo-chromen-7-olate CAS Name: 8-[(dimethylammonio)methyl]-3-(4-ethoxycarbonylphenoxy)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[(dimethylazaniumyl)methyl]-3-(4-ethoxycarbonylphenoxy)-4-oxochromen-7-olate Traditional Name: 3-(4-carbethoxyphenoxy)-8-[(dimethylammonio)methyl]-4-keto-chromen-7-olate Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+](C)C)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+](C)C)[O-]

InChI

InChI=1S/C21H21NO6/c1-4-26-21(25)13-5-7-14(8-6-13)28-18-12-27-20-15(19(18)24)9-10-17(23)16(20)11-22(2)3/h5-10,12,23H,4,11H2,1-3H3