8-[(diethylazaniumyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[(diethylazaniumyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(diethylammonio)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-chromen-7-olate CAS Name: 8-[(diethylammonio)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[(diethylazaniumyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate Traditional Name: 8-[(diethylammonio)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-chromen-7-olate Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCCO4)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCCO4)[O-]

InChI

InChI=1S/C22H23NO5/c1-3-23(4-2)12-16-18(24)7-6-15-21(25)17(13-28-22(15)16)14-5-8-19-20(11-14)27-10-9-26-19/h5-8,11,13,24H,3-4,9-10,12H2,1-2H3