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

Systemtic Name: 8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-olate Openeye Name: 8-[(dimethylammonio)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate CAS Name: 8-[(dimethylammonio)methyl]-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-1-benzopyran-7-olate IUPAC Name: 8-[(dimethylazaniumyl)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate Traditional Name: 8-[(dimethylammonio)methyl]-4-keto-3-(4-propoxycarbonylphenoxy)chromen-7-olate Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6/c1-4-11-27-22(26)14-5-7-15(8-6-14)29-19-13-28-21-16(20(19)25)9-10-18(24)17(21)12-23(2)3/h5-10,13,24H,4,11-12H2,1-3H3