4-bromanyl-2-(1,3-dihydrobenzimidazol-2-ylideneazaniumylmethyl)phenolate

Systemtic Name: 4-bromanyl-2-(1,3-dihydrobenzimidazol-2-ylideneazaniumylmethyl)phenolate Openeye Name: 4-bromo-2-(1,3-dihydrobenzimidazol-2-ylideneammoniomethyl)phenolate CAS Name: 4-bromo-2-(1,3-dihydrobenzimidazol-2-ylideneammoniomethyl)phenolate IUPAC Name: 4-bromo-2-(1,3-dihydrobenzimidazol-2-ylideneazaniumylmethyl)phenolate Traditional Name: 4-bromo-2-(1,3-dihydrobenzimidazol-2-ylideneammoniomethyl)phenolate Formula: C14H12BrN3O MolecularWeight: 318.16858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]CC3=C(C=CC(=C3)Br)[O-])N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]CC3=C(C=CC(=C3)Br)[O-])N2

InChI

InChI=1S/C14H12BrN3O/c15-10-5-6-13(19)9(7-10)8-16-14-17-11-3-1-2-4-12(11)18-14/h1-7,19H,8H2,(H2,16,17,18)