6-azanyl-4-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1-(4-methylphenyl)-2,7-dihydropyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile

Systemtic Name: 6-azanyl-4-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1-(4-methylphenyl)-2,7-dihydropyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Openeye Name: 6-amino-4-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1-(p-tolyl)-2,7-dihydropyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile CAS Name: 6-amino-4-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1-(4-methylphenyl)-2,7-dihydropyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile IUPAC Name: 6-amino-4-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1-(4-methylphenyl)-2,7-dihydropyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Traditional Name: 6-amino-4-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1-(p-tolyl)-2,7-dihydropyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Formula: C21H17BrN5O+ MolecularWeight: 435.29658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C3C(=C(N2)C)C(=C4C=C(C=CC4=O)Br)C(=C(N3)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C3C(=C(N2)C)C(=C4C=C(C=CC4=O)Br)C(=C(N3)N)C#N

InChI

InChI=1S/C21H16BrN5O/c1-11-3-6-14(7-4-11)27-21-18(12(2)26-27)19(16(10-23)20(24)25-21)15-9-13(22)5-8-17(15)28/h3-9H,1-2H3,(H3,24,25,26,28)/p+1