8-[(dimethylazaniumyl)methyl]-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[(dimethylazaniumyl)methyl]-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(dimethylammonio)methyl]-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxo-chromen-7-olate CAS Name: 8-[(dimethylammonio)methyl]-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[(dimethylazaniumyl)methyl]-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(4-carbomethoxyphenoxy)-8-[(dimethylammonio)methyl]-4-keto-2-methyl-chromen-7-olate Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)C)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)C)OC3=CC=C(C=C3)C(=O)OC

InChI

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