ethyl 2-[[3-(3-bromanyl-4-methyl-phenyl)-2H-1,2,3,4-tetrazol-1-yl]methyl]benzoate

Systemtic Name: ethyl 2-[[3-(3-bromanyl-4-methyl-phenyl)-2H-1,2,3,4-tetrazol-1-yl]methyl]benzoate Openeye Name: ethyl 2-[[3-(3-bromo-4-methyl-phenyl)-2H-tetrazol-1-yl]methyl]benzoate CAS Name: 2-[[3-(3-bromo-4-methylphenyl)-2H-tetrazol-1-yl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(3-bromo-4-methylphenyl)-2H-tetrazol-1-yl]methyl]benzoate Traditional Name: 2-[[3-(3-bromo-4-methyl-phenyl)-2H-tetrazol-1-yl]methyl]benzoic acid ethyl ester Formula: C18H19BrN4O2 MolecularWeight: 403.27306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1CN2C=NN(N2)C3=CC(=C(C=C3)C)Br

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1CN2C=NN(N2)C3=CC(=C(C=C3)C)Br

InChI

InChI=1S/C18H19BrN4O2/c1-3-25-18(24)16-7-5-4-6-14(16)11-22-12-20-23(21-22)15-9-8-13(2)17(19)10-15/h4-10,12,21H,3,11H2,1-2H3