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

Systemtic Name: 3-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid Openeye Name: 3-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid CAS Name: 3-[(4-bromo-5-methyl-3-nitro-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid Traditional Name: 3-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid Formula: C12H10BrN3O4 MolecularWeight: 340.1295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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