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

Systemtic Name: 1-methyl-5-(5-nitro-2-propan-2-yloxy-phenyl)pyrazole Openeye Name: 5-(2-isopropoxy-5-nitro-phenyl)-1-methyl-pyrazole CAS Name: 1-methyl-5-(5-nitro-2-propan-2-yloxyphenyl)pyrazole IUPAC Name: 1-methyl-5-(5-nitro-2-propan-2-yloxyphenyl)pyrazole Traditional Name: 5-(2-isopropoxy-5-nitro-phenyl)-1-methyl-pyrazole Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-9(2)19-13-5-4-10(16(17)18)8-11(13)12-6-7-14-15(12)3/h4-9H,1-3H3