[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester IUPAC Name: [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester Formula: C16H11BrN4O2 MolecularWeight: 371.18814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NN2C=NN=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1/C=N/N2C=NN=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrN4O2/c17-14-5-3-13(4-6-14)16(22)23-15-7-1-12(2-8-15)9-20-21-10-18-19-11-21/h1-11H/b20-9+