1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitropyrazole-3-carboxylic acid Traditional Name: 5-methyl-4-nitro-1-p-anisyl-pyrazole-3-carboxylic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)OC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)OC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-8-12(16(19)20)11(13(17)18)14-15(8)7-9-3-5-10(21-2)6-4-9/h3-6H,7H2,1-2H3,(H,17,18)