7-chloranyl-3-(3-methyl-5-phenyl-pyrazol-1-yl)-1-oxidanidyl-quinoxalin-1-ium

Systemtic Name: 7-chloranyl-3-(3-methyl-5-phenyl-pyrazol-1-yl)-1-oxidanidyl-quinoxalin-1-ium Openeye Name: 7-chloro-3-(3-methyl-5-phenyl-pyrazol-1-yl)-1-oxido-quinoxalin-1-ium CAS Name: 7-chloro-3-(3-methyl-5-phenyl-1-pyrazolyl)-1-oxidoquinoxalin-1-ium IUPAC Name: 7-chloro-3-(3-methyl-5-phenylpyrazol-1-yl)-1-oxidoquinoxalin-1-ium Traditional Name: 7-chloro-3-(3-methyl-5-phenyl-pyrazol-1-yl)-1-oxido-quinoxalin-1-ium Formula: C18H13ClN4O MolecularWeight: 336.77502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=CC=CC=C2)C3=C[N+](=C4C=C(C=CC4=N3)Cl)[O-]

Isomeric SMILES

CC1=NN(C(=C1)C2=CC=CC=C2)C3=C[N+](=C4C=C(C=CC4=N3)Cl)[O-]

InChI

InChI=1S/C18H13ClN4O/c1-12-9-16(13-5-3-2-4-6-13)23(21-12)18-11-22(24)17-10-14(19)7-8-15(17)20-18/h2-11H,1H3