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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-bromanyl-2-[(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 4-bromo-2-[(4-methyl-5-oxo-tetrazol-1-yl)methyl]benzoate CAS Name: 4-bromo-2-[(4-methyl-5-oxo-1-tetrazolyl)methyl]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 4-bromo-2-[(4-methyl-5-oxotetrazol-1-yl)methyl]benzoate Traditional Name: 4-bromo-2-[(5-keto-4-methyl-tetrazol-1-yl)methyl]benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C16H15BrN4O4 MolecularWeight: 407.2187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(N=N1)CC2=C(C=CC(=C2)Br)C(=O)OC3=CC(=O)CCC3

Isomeric SMILES

CN1C(=O)N(N=N1)CC2=C(C=CC(=C2)Br)C(=O)OC3=CC(=O)CCC3

InChI

InChI=1S/C16H15BrN4O4/c1-20-16(24)21(19-18-20)9-10-7-11(17)5-6-14(10)15(23)25-13-4-2-3-12(22)8-13/h5-8H,2-4,9H2,1H3