5-methyl-4-nitro-1-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-methyl-4-nitro-1-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 1-benzyl-5-methyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 5-methyl-4-nitro-1-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-5-methyl-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-benzyl-5-methyl-4-nitro-pyrazole-3-carboxylic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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