(5-bromanyl-2-methoxy-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (5-bromo-2-methoxy-benzyl) ester Formula: C15H16BrN3O5 MolecularWeight: 398.20864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O5/c1-9-15(19(21)22)10(2)18(17-9)7-14(20)24-8-11-6-12(16)4-5-13(11)23-3/h4-6H,7-8H2,1-3H3