4-[[2-bromanyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-bromanyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-bromo-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-bromo-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-bromo-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-bromo-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Formula: C17H13BrN4O3 MolecularWeight: 401.21412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)C=NN3C=NN=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)/C=N\N3C=NN=C3)Br)C(=O)O

InChI

InChI=1S/C17H13BrN4O3/c18-15-7-13(8-21-22-10-19-20-11-22)3-6-16(15)25-9-12-1-4-14(5-2-12)17(23)24/h1-8,10-11H,9H2,(H,23,24)/b21-8-