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

Systemtic Name: methyl 4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzoic acid methyl ester Formula: C12H10BrN3O4 MolecularWeight: 340.1295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrN3O4/c1-20-12(17)9-4-2-8(3-5-9)6-15-7-10(13)11(14-15)16(18)19/h2-5,7H,6H2,1H3