4-bromanyl-5-(diphenylcarbamoyl)-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-bromanyl-5-(diphenylcarbamoyl)-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-bromo-5-(diphenylcarbamoyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 4-bromo-2-methyl-5-[oxo-(N-phenylanilino)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-5-(diphenylcarbamoyl)-2-methylpyrazole-3-carboxylic acid Traditional Name: 4-bromo-5-(diphenylcarbamoyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C18H14BrN3O3 MolecularWeight: 400.22606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)Br)C(=O)O

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)Br)C(=O)O

InChI

InChI=1S/C18H14BrN3O3/c1-21-16(18(24)25)14(19)15(20-21)17(23)22(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,24,25)