2-[(4-methylphenyl)methyl]-5-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 2-[(4-methylphenyl)methyl]-5-nitro-pyrazole-3-carboxylic acid Openeye Name: 5-nitro-2-(p-tolylmethyl)pyrazole-3-carboxylic acid CAS Name: 2-[(4-methylphenyl)methyl]-5-nitro-3-pyrazolecarboxylic acid IUPAC Name: 2-[(4-methylphenyl)methyl]-5-nitropyrazole-3-carboxylic acid Traditional Name: 2-(4-methylbenzyl)-5-nitro-pyrazole-3-carboxylic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H11N3O4/c1-8-2-4-9(5-3-8)7-14-10(12(16)17)6-11(13-14)15(18)19/h2-6H,7H2,1H3,(H,16,17)