2-[(E)-[3-(3H-benzimidazol-1-ium-1-yl)propanoylhydrazinylidene]methyl]-4-bromanyl-phenolate

Systemtic Name: 2-[(E)-[3-(3H-benzimidazol-1-ium-1-yl)propanoylhydrazinylidene]methyl]-4-bromanyl-phenolate Openeye Name: 2-[(E)-[3-(3H-benzimidazol-1-ium-1-yl)propanoylhydrazono]methyl]-4-bromo-phenolate CAS Name: 2-[(E)-[[3-(3H-benzimidazol-1-ium-1-yl)-1-oxopropyl]hydrazinylidene]methyl]-4-bromophenolate IUPAC Name: 2-[(E)-[3-(3H-benzimidazol-1-ium-1-yl)propanoylhydrazinylidene]methyl]-4-bromophenolate Traditional Name: 2-[(E)-[3-(3H-benzimidazol-1-ium-1-yl)propanoylhydrazono]methyl]-4-bromo-phenolate Formula: C17H15BrN4O2 MolecularWeight: 387.2306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2CCC(=O)NN=CC3=C(C=CC(=C3)Br)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2CCC(=O)N/N=C/C3=C(C=CC(=C3)Br)[O-]

InChI

InChI=1S/C17H15BrN4O2/c18-13-5-6-16(23)12(9-13)10-20-21-17(24)7-8-22-11-19-14-3-1-2-4-15(14)22/h1-6,9-11H,7-8H2,(H2,20,21,23,24)