5-(4-butoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-butoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-butoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-butoxy-3-nitrophenyl)-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-butoxy-3-nitrophenyl)-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-(4-butoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5/c1-3-4-7-23-14-6-5-10(8-12(14)18(21)22)11-9-13(15(19)20)17(2)16-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)