4-[(E)-2-(6-bromanyl-1H-benzimidazol-2-yl)-2-cyano-ethenyl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-[(E)-2-(6-bromanyl-1H-benzimidazol-2-yl)-2-cyano-ethenyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(E)-2-(6-bromo-1H-benzimidazol-2-yl)-2-cyano-vinyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(E)-2-(6-bromo-1H-benzimidazol-2-yl)-2-cyanoethenyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(E)-2-(6-bromo-1H-benzimidazol-2-yl)-2-cyanoethenyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(E)-2-(6-bromo-1H-benzimidazol-2-yl)-2-cyano-vinyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C20H13BrN5O- MolecularWeight: 419.25412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C2=NC3=C(N2)C=C(C=C3)Br)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)Br)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H14BrN5O/c1-12-16(20(27)26(25-12)15-5-3-2-4-6-15)9-13(11-22)19-23-17-8-7-14(21)10-18(17)24-19/h2-10,27H,1H3,(H,23,24)/p-1/b13-9+