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

Systemtic Name: methyl 4-[[5-bromanyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate CAS Name: 4-[[[5-bromo-2-(1-tetrazolyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate Traditional Name: 4-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoic acid methyl ester Formula: C16H12BrN5O3 MolecularWeight: 402.20218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)N3C=NN=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)N3C=NN=N3

InChI

InChI=1S/C16H12BrN5O3/c1-25-16(24)10-2-5-12(6-3-10)19-15(23)13-8-11(17)4-7-14(13)22-9-18-20-21-22/h2-9H,1H3,(H,19,23)