methyl 3-[[5-bromanyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[5-bromanyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[[5-bromo-2-(1-tetrazolyl)phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]propionic acid methyl ester Formula: C12H12BrN5O3 MolecularWeight: 354.15938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=C(C=CC(=C1)Br)N2C=NN=N2

Isomeric SMILES

COC(=O)CCNC(=O)C1=C(C=CC(=C1)Br)N2C=NN=N2

InChI

InChI=1S/C12H12BrN5O3/c1-21-11(19)4-5-14-12(20)9-6-8(13)2-3-10(9)18-7-15-16-17-18/h2-3,6-7H,4-5H2,1H3,(H,14,20)