ethyl 2-[4-bromanyl-2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-bromanyl-2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-bromo-2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetate CAS Name: 2-[4-bromo-2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-bromo-2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetate Traditional Name: 2-[4-bromo-2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetic acid ethyl ester Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)C=NN2C=NN=C2

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)/C=N/N2C=NN=C2

InChI

InChI=1S/C13H13BrN4O3/c1-2-20-13(19)7-21-12-4-3-11(14)5-10(12)6-17-18-8-15-16-9-18/h3-6,8-9H,2,7H2,1H3/b17-6+