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

Systemtic Name: 6-azanyl-4-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Openeye Name: 6-amino-4-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile CAS Name: 6-amino-4-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile IUPAC Name: 6-amino-4-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Traditional Name: 6-amino-4-(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Formula: C21H18N5O2+ MolecularWeight: 372.39992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C=CC=C(C3=O)OC)C(=C(NC2=[N+](N1)C4=CC=CC=C4)N)C#N

Isomeric SMILES

CC1=C2C(=C3C=CC=C(C3=O)OC)C(=C(NC2=[N+](N1)C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C21H17N5O2/c1-12-17-18(14-9-6-10-16(28-2)19(14)27)15(11-22)20(23)24-21(17)26(25-12)13-7-4-3-5-8-13/h3-10H,1-2H3,(H3,23,24,25,27)/p+1