(phenylmethyl) 2-(3-nitropyrazol-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(3-nitropyrazol-1-yl)ethanoate Openeye Name: benzyl 2-(3-nitropyrazol-1-yl)acetate CAS Name: 2-(3-nitro-1-pyrazolyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-nitropyrazol-1-yl)acetate Traditional Name: 2-(3-nitropyrazol-1-yl)acetic acid benzyl ester Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4/c16-12(19-9-10-4-2-1-3-5-10)8-14-7-6-11(13-14)15(17)18/h1-7H,8-9H2