2-bromanyl-6-[(E)-[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]oxyethanoylhydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-bromanyl-6-[(E)-[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]oxyethanoylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]oxyacetyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[(E)-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridin-1-iumyl]oxy]-1-oxoethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-1-ium-2-yl]oxyacetyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]oxyacetyl]hydrazono]methyl]-4-nitro-phenolate Formula: C18H16BrN5O6 MolecularWeight: 478.25354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)COC)C#N)OCC(=O)NN=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)COC)C#N)OCC(=O)N/N=C/C2=CC(=CC(=C2[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN5O6/c1-10-3-12(8-29-2)14(6-20)18(22-10)30-9-16(25)23-21-7-11-4-13(24(27)28)5-15(19)17(11)26/h3-5,7,26H,8-9H2,1-2H3,(H,23,25)/b21-7+