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

Systemtic Name: methyl 2-methyl-5-[4-(2-methylpropoxy)-3-nitro-phenyl]pyrazole-3-carboxylate Openeye Name: methyl 5-(4-isobutoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylate CAS Name: 2-methyl-5-[4-(2-methylpropoxy)-3-nitrophenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[4-(2-methylpropoxy)-3-nitrophenyl]pyrazole-3-carboxylate Traditional Name: 5-(4-isobutoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5/c1-10(2)9-24-15-6-5-11(7-13(15)19(21)22)12-8-14(16(20)23-4)18(3)17-12/h5-8,10H,9H2,1-4H3