4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]amino]-4-keto-butyrate Formula: C19H15BrN3O3- MolecularWeight: 413.2447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H16BrN3O3/c20-14-8-6-13(7-9-14)19-16(21-17(24)10-11-18(25)26)12-23(22-19)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,21,24)(H,25,26)/p-1