N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-5-[(4R)-3-methyl-5-methylidene-2-phenyl-1,4-dihydropyrazol-2-ium-4-yl]-1H-pyrazole-3-carbohydrazide

Systemtic Name: N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-5-[(4R)-3-methyl-5-methylidene-2-phenyl-1,4-dihydropyrazol-2-ium-4-yl]-1H-pyrazole-3-carbohydrazide Openeye Name: N'-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-5-[(4R)-3-methyl-5-methylene-2-phenyl-1,4-dihydropyrazol-2-ium-4-yl]-1H-pyrazole-3-carbohydrazide CAS Name: N'-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-5-[(4R)-3-methyl-5-methylene-2-phenyl-1,4-dihydropyrazol-2-ium-4-yl]-1H-pyrazole-3-carbohydrazide IUPAC Name: N'-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-5-[(4R)-3-methyl-5-methylidene-2-phenyl-1,4-dihydropyrazol-2-ium-4-yl]-1H-pyrazole-3-carbohydrazide Traditional Name: N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-5-[(4R)-5-methyl-3-methylene-1-phenyl-2-pyrazolin-1-ium-4-yl]-1H-pyrazole-3-carbohydrazide Formula: C22H20BrN6O2+ MolecularWeight: 480.3372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](NC(=C)C1C2=CC(=NN2)C(=O)NNC=C3C=C(C=CC3=O)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=[N+](NC(=C)[C@@H]1C2=CC(=NN2)C(=O)NNC=C3C=C(C=CC3=O)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H19BrN6O2/c1-13-21(14(2)29(28-13)17-6-4-3-5-7-17)18-11-19(26-25-18)22(31)27-24-12-15-10-16(23)8-9-20(15)30/h3-12,21,28H,1H2,2H3,(H2-,24,25,26,27,30,31)/p+1/t21-/m0/s1