[5-ethyl-2-methyl-3-(2-nitrophenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [5-ethyl-2-methyl-3-(2-nitrophenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [5-ethyl-7-hydroxy-2-methyl-3-(2-nitrophenoxy)-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [5-ethyl-7-hydroxy-2-methyl-3-(2-nitrophenoxy)-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [5-ethyl-7-hydroxy-2-methyl-3-(2-nitrophenoxy)-4-oxochromen-8-yl]methyl-dimethylazanium Traditional Name: [5-ethyl-7-hydroxy-4-keto-2-methyl-3-(2-nitrophenoxy)chromen-8-yl]methyl-dimethyl-ammonium Formula: C21H23N2O6+ MolecularWeight: 399.41712

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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-])C[NH+](C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/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/p+1