methyl 4-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(4-bromo-5-methyl-3-nitro-1-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid methyl ester Formula: C13H12BrN3O4 MolecularWeight: 354.15608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-])Br

InChI

InChI=1S/C13H12BrN3O4/c1-8-11(14)12(17(19)20)15-16(8)7-9-3-5-10(6-4-9)13(18)21-2/h3-6H,7H2,1-2H3