methyl 5-bromanyl-2-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate

Systemtic Name: methyl 5-bromanyl-2-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Openeye Name: methyl 5-bromo-2-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoate CAS Name: 5-bromo-2-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Traditional Name: 5-bromo-2-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoic acid methyl ester Formula: C15H11BrN4O3 MolecularWeight: 375.17684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)C=NN3C=NN=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)/C=N/N3C=NN=C3

InChI

InChI=1S/C15H11BrN4O3/c1-22-15(21)13-6-10(16)2-4-12(13)14-5-3-11(23-14)7-19-20-8-17-18-9-20/h2-9H,1H3/b19-7+