(5S)-1-(4-bromophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

Systemtic Name: (5S)-1-(4-bromophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid Openeye Name: (5S)-1-(4-bromophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid CAS Name: (5S)-1-(4-bromophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid IUPAC Name: (5S)-1-(4-bromophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid Traditional Name: (5S)-1-(4-bromophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid Formula: C15H15BrN2O2 MolecularWeight: 335.1958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C15H15BrN2O2/c1-9-2-7-13-12(8-9)14(15(19)20)17-18(13)11-5-3-10(16)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,19,20)/t9-/m0/s1