3-[4-(2-methylpropoxy)-3-nitro-phenyl]-1H-pyrazole-5-carboxylate

Systemtic Name: 3-[4-(2-methylpropoxy)-3-nitro-phenyl]-1H-pyrazole-5-carboxylate Openeye Name: 3-(4-isobutoxy-3-nitro-phenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-[4-(2-methylpropoxy)-3-nitrophenyl]-1H-pyrazole-5-carboxylate IUPAC Name: 3-[4-(2-methylpropoxy)-3-nitrophenyl]-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-isobutoxy-3-nitro-phenyl)-1H-pyrazole-5-carboxylate Formula: C14H14N3O5- MolecularWeight: 304.27806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O5/c1-8(2)7-22-13-4-3-9(5-12(13)17(20)21)10-6-11(14(18)19)16-15-10/h3-6,8H,7H2,1-2H3,(H,15,16)(H,18,19)/p-1