4-bromanyl-1-methyl-5-(5-nitro-2-propan-2-yloxy-phenyl)pyrazole

Systemtic Name: 4-bromanyl-1-methyl-5-(5-nitro-2-propan-2-yloxy-phenyl)pyrazole Openeye Name: 4-bromo-5-(2-isopropoxy-5-nitro-phenyl)-1-methyl-pyrazole CAS Name: 4-bromo-1-methyl-5-(5-nitro-2-propan-2-yloxyphenyl)pyrazole IUPAC Name: 4-bromo-1-methyl-5-(5-nitro-2-propan-2-yloxyphenyl)pyrazole Traditional Name: 4-bromo-5-(2-isopropoxy-5-nitro-phenyl)-1-methyl-pyrazole Formula: C13H14BrN3O3 MolecularWeight: 340.17256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)[N+](=O)[O-])C2=C(C=NN2C)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)[N+](=O)[O-])C2=C(C=NN2C)Br

InChI

InChI=1S/C13H14BrN3O3/c1-8(2)20-12-5-4-9(17(18)19)6-10(12)13-11(14)7-15-16(13)3/h4-8H,1-3H3