(phenylmethyl) 2-(4-bromanyl-3-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(4-bromanyl-3-nitro-pyrazol-1-yl)ethanoate Openeye Name: benzyl 2-(4-bromo-3-nitro-pyrazol-1-yl)acetate CAS Name: 2-(4-bromo-3-nitro-1-pyrazolyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-bromo-3-nitropyrazol-1-yl)acetate Traditional Name: 2-(4-bromo-3-nitro-pyrazol-1-yl)acetic acid benzyl ester Formula: C12H10BrN3O4 MolecularWeight: 340.1295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrN3O4/c13-10-6-15(14-12(10)16(18)19)7-11(17)20-8-9-4-2-1-3-5-9/h1-6H,7-8H2