2-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbamoyl]benzoate

Systemtic Name: 2-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbamoyl]benzoate Openeye Name: 2-[(4-bromo-2-methyl-pyrazol-3-yl)carbamoyl]benzoate CAS Name: 2-[[(4-bromo-2-methyl-3-pyrazolyl)amino]-oxomethyl]benzoate IUPAC Name: 2-[(4-bromo-2-methylpyrazol-3-yl)carbamoyl]benzoate Traditional Name: 2-[(4-bromo-2-methyl-pyrazol-3-yl)carbamoyl]benzoate Formula: C12H9BrN3O3- MolecularWeight: 323.12216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)NC(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)Br)NC(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C12H10BrN3O3/c1-16-10(9(13)6-14-16)15-11(17)7-4-2-3-5-8(7)12(18)19/h2-6H,1H3,(H,15,17)(H,18,19)/p-1