8-[(diethylazaniumyl)methyl]-2-methyl-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-olate

Systemtic Name: 8-[(diethylazaniumyl)methyl]-2-methyl-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-olate Openeye Name: 8-[(diethylammonio)methyl]-2-methyl-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate CAS Name: 8-[(diethylammonio)methyl]-2-methyl-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-1-benzopyran-7-olate IUPAC Name: 8-[(diethylazaniumyl)methyl]-2-methyl-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate Traditional Name: 8-[(diethylammonio)methyl]-4-keto-2-methyl-3-(4-propoxycarbonylphenoxy)chromen-7-olate Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC)CC)[O-])C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC)CC)[O-])C

InChI

InChI=1S/C25H29NO6/c1-5-14-30-25(29)17-8-10-18(11-9-17)32-23-16(4)31-24-19(22(23)28)12-13-21(27)20(24)15-26(6-2)7-3/h8-13,27H,5-7,14-15H2,1-4H3