5-nitro-2-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-nitro-2-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 2-benzyl-5-nitro-pyrazole-3-carboxylic acid CAS Name: 5-nitro-2-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-benzyl-5-nitropyrazole-3-carboxylic acid Traditional Name: 2-benzyl-5-nitro-pyrazole-3-carboxylic acid Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O4/c15-11(16)9-6-10(14(17)18)12-13(9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16)