8-(dimethylaminomethyl)-5-ethyl-2-methyl-3-(2-nitrophenoxy)-7-oxidanyl-chromen-4-one hydrochloride

Systemtic Name: 8-(dimethylaminomethyl)-5-ethyl-2-methyl-3-(2-nitrophenoxy)-7-oxidanyl-chromen-4-one hydrochloride Openeye Name: 8-(dimethylaminomethyl)-5-ethyl-7-hydroxy-2-methyl-3-(2-nitrophenoxy)chromen-4-one hydrochloride CAS Name: 8-(dimethylaminomethyl)-5-ethyl-7-hydroxy-2-methyl-3-(2-nitrophenoxy)-1-benzopyran-4-one hydrochloride IUPAC Name: 8-(dimethylaminomethyl)-5-ethyl-7-hydroxy-2-methyl-3-(2-nitrophenoxy)chromen-4-one hydrochloride Traditional Name: 8-(dimethylaminomethyl)-5-ethyl-7-hydroxy-2-methyl-3-(2-nitrophenoxy)chromone hydrochloride Formula: C21H23ClN2O6 MolecularWeight: 434.87012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C2=C1C(=O)C(=C(O2)C)OC3=CC=CC=C3[N+](=O)[O-])CN(C)C)O.Cl

Isomeric SMILES

CCC1=CC(=C(C2=C1C(=O)C(=C(O2)C)OC3=CC=CC=C3[N+](=O)[O-])CN(C)C)O.Cl

InChI

InChI=1S/C21H22N2O6.ClH/c1-5-13-10-16(24)14(11-22(3)4)21-18(13)19(25)20(12(2)28-21)29-17-9-7-6-8-15(17)23(26)27;/h6-10,24H,5,11H2,1-4H3;1H