methyl 2-[[(6E)-2-(6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-6-(6-methyl-1-oxidanidyl-pyridin-2-ylidene)-1-oxidanylidene-pyridin-1-ium-4-yl]methoxy]ethanoate

Systemtic Name: methyl 2-[[(6E)-2-(6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-6-(6-methyl-1-oxidanidyl-pyridin-2-ylidene)-1-oxidanylidene-pyridin-1-ium-4-yl]methoxy]ethanoate Openeye Name: methyl 2-[[(6E)-2-(6-methyl-1-oxido-pyridin-1-ium-2-yl)-6-(6-methyl-1-oxido-2-pyridylidene)-1-oxo-pyridin-1-ium-4-yl]methoxy]acetate CAS Name: 2-[[(6E)-2-(6-methyl-1-oxido-2-pyridin-1-iumyl)-6-(6-methyl-1-oxido-2-pyridinylidene)-1-oxo-4-pyridin-1-iumyl]methoxy]acetic acid methyl ester IUPAC Name: methyl 2-[[(6E)-2-(6-methyl-1-oxidopyridin-1-ium-2-yl)-6-(6-methyl-1-oxidopyridin-2-ylidene)-1-oxopyridin-1-ium-4-yl]methoxy]acetate Traditional Name: 2-[[(6E)-1-keto-2-(6-methyl-1-oxido-pyridin-1-ium-2-yl)-6-(6-methyl-1-oxido-2-pyridylidene)pyridin-1-ium-4-yl]methoxy]acetic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C2C=C(C=C([N+]2=O)C3=[N+](C(=CC=C3)C)[O-])COCC(=O)OC)N1[O-]

Isomeric SMILES

CC1=CC=C/C(=C\2/C=C(C=C([N+]2=O)C3=[N+](C(=CC=C3)C)[O-])COCC(=O)OC)/N1[O-]

InChI

InChI=1S/C21H21N3O6/c1-14-6-4-8-17(22(14)26)19-10-16(12-30-13-21(25)29-3)11-20(24(19)28)18-9-5-7-15(2)23(18)27/h4-11H,12-13H2,1-3H3/b19-17+