(4-bromanyl-2-chloranyl-6-methyl-phenyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C14H13BrClN3O4 MolecularWeight: 402.62772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)Cl)Br

InChI

InChI=1S/C14H13BrClN3O4/c1-7-4-10(15)5-11(16)14(7)23-12(20)6-18-9(3)13(19(21)22)8(2)17-18/h4-5H,6H2,1-3H3