(3Z)-4-methyl-3-(phenylhydrazinylidene)-5-pyridin-1-ium-1-yl-pyridin-1-ium-2,6-dione diethanoate

Systemtic Name: (3Z)-4-methyl-3-(phenylhydrazinylidene)-5-pyridin-1-ium-1-yl-pyridin-1-ium-2,6-dione diethanoate Openeye Name: (3Z)-4-methyl-3-(phenylhydrazono)-5-pyridin-1-ium-1-yl-pyridin-1-ium-2,6-dione diacetate CAS Name: (3Z)-4-methyl-3-(phenylhydrazinylidene)-5-(1-pyridin-1-iumyl)pyridin-1-ium-2,6-dione diacetate IUPAC Name: (3Z)-4-methyl-3-(phenylhydrazinylidene)-5-pyridin-1-ium-1-ylpyridin-1-ium-2,6-dione diacetate Traditional Name: (3Z)-4-methyl-3-(phenylhydrazono)-5-pyridin-1-ium-1-yl-pyridin-1-ium-2,6-quinone diacetate Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[NH2+]C(=O)C1=NNC2=CC=CC=C2)[N+]3=CC=CC=C3.CC(=O)[O-].CC(=O)[O-]

Isomeric SMILES

CC\1=C(C(=O)[NH2+]C(=O)/C1=N\NC2=CC=CC=C2)[N+]3=CC=CC=C3.CC(=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C17H14N4O2.2C2H4O2/c1-12-14(20-19-13-8-4-2-5-9-13)16(22)18-17(23)15(12)21-10-6-3-7-11-21;2*1-2(3)4/h2-11H,1H3,(H-,18,19,22,23);2*1H3,(H,3,4)