(7-methyl-4-oxidanylidene-3-pyridin-1-ium-2-yl-chromen-5-yl) ethanoate

Systemtic Name: (7-methyl-4-oxidanylidene-3-pyridin-1-ium-2-yl-chromen-5-yl) ethanoate Openeye Name: (7-methyl-4-oxo-3-pyridin-1-ium-2-yl-chromen-5-yl) acetate CAS Name: acetic acid [7-methyl-4-oxo-3-(2-pyridin-1-iumyl)-1-benzopyran-5-yl] ester IUPAC Name: (7-methyl-4-oxo-3-pyridin-1-ium-2-ylchromen-5-yl) acetate Traditional Name: acetic acid (4-keto-7-methyl-3-pyridin-1-ium-2-yl-chromen-5-yl) ester Formula: C17H14NO4+ MolecularWeight: 296.29736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)OC(=O)C)C(=O)C(=CO2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC2=C(C(=C1)OC(=O)C)C(=O)C(=CO2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H13NO4/c1-10-7-14-16(15(8-10)22-11(2)19)17(20)12(9-21-14)13-5-3-4-6-18-13/h3-9H,1-2H3/p+1