methyl (2S)-4-(4-bromophenyl)-4-oxidanylidene-2-pyrazol-1-yl-butanoate

Systemtic Name: methyl (2S)-4-(4-bromophenyl)-4-oxidanylidene-2-pyrazol-1-yl-butanoate Openeye Name: methyl (2S)-4-(4-bromophenyl)-4-oxo-2-pyrazol-1-yl-butanoate CAS Name: (2S)-4-(4-bromophenyl)-4-oxo-2-(1-pyrazolyl)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-(4-bromophenyl)-4-oxo-2-pyrazol-1-ylbutanoate Traditional Name: (2S)-4-(4-bromophenyl)-4-keto-2-pyrazol-1-yl-butyric acid methyl ester Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)C1=CC=C(C=C1)Br)N2C=CC=N2

Isomeric SMILES

COC(=O)[C@H](CC(=O)C1=CC=C(C=C1)Br)N2C=CC=N2

InChI

InChI=1S/C14H13BrN2O3/c1-20-14(19)12(17-8-2-7-16-17)9-13(18)10-3-5-11(15)6-4-10/h2-8,12H,9H2,1H3/t12-/m0/s1