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

Systemtic Name: methyl 3-bromanyl-4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)methoxy]benzoate Openeye Name: methyl 3-bromo-4-[(1-cyclopropyltetrazol-5-yl)methoxy]benzoate CAS Name: 3-bromo-4-[(1-cyclopropyl-5-tetrazolyl)methoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[(1-cyclopropyltetrazol-5-yl)methoxy]benzoate Traditional Name: 3-bromo-4-[(1-cyclopropyltetrazol-5-yl)methoxy]benzoic acid methyl ester Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC2=NN=NN2C3CC3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC2=NN=NN2C3CC3)Br

InChI

InChI=1S/C13H13BrN4O3/c1-20-13(19)8-2-5-11(10(14)6-8)21-7-12-15-16-17-18(12)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3