5-azanyl-1-(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-3-methyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-3-methyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-3-methyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-(6-chloro-4-oxido-2-quinoxalin-4-iumyl)-3-methyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(6-chloro-4-oxidoquinoxalin-4-ium-2-yl)-3-methylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-3-methyl-pyrazole-4-carbonitrile Formula: C13H9ClN6O MolecularWeight: 300.70316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)N)C2=C[N+](=C3C=C(C=CC3=N2)Cl)[O-]

Isomeric SMILES

CC1=NN(C(=C1C#N)N)C2=C[N+](=C3C=C(C=CC3=N2)Cl)[O-]

InChI

InChI=1S/C13H9ClN6O/c1-7-9(5-15)13(16)20(18-7)12-6-19(21)11-4-8(14)2-3-10(11)17-12/h2-4,6H,16H2,1H3