ethyl 3-bromanyl-4-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 3-bromo-4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate CAS Name: 3-bromo-4-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate Traditional Name: 3-bromo-4-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C12H12BrN5O3 MolecularWeight: 354.15938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN2C=NN=N2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN2C=NN=N2)Br

InChI

InChI=1S/C12H12BrN5O3/c1-2-21-12(20)8-3-4-10(9(13)5-8)15-11(19)6-18-7-14-16-17-18/h3-5,7H,2,6H2,1H3,(H,15,19)