(phenylmethyl) 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoate Openeye Name: benzyl 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetate CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetate Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetic acid benzyl ester Formula: C13H12BrN3O4 MolecularWeight: 354.15608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H12BrN3O4/c1-9-12(14)13(17(19)20)15-16(9)7-11(18)21-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3