2-[2-[bis[2-(3-bromophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[bis[2-(3-bromophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[bis[2-(3-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]phenoxy]acetic acid CAS Name: 2-[2-[bis[2-(3-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[bis[2-(3-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[2-[bis[1-(3-bromophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]methyl]phenoxy]acetic acid Formula: C29H24Br2N4O5 MolecularWeight: 668.33266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Br)C(C3=CC=CC=C3OCC(=O)O)C4=C(NN(C4=O)C5=CC(=CC=C5)Br)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Br)C(C3=CC=CC=C3OCC(=O)O)C4=C(NN(C4=O)C5=CC(=CC=C5)Br)C

InChI

InChI=1S/C29H24Br2N4O5/c1-16-25(28(38)34(32-16)20-9-5-7-18(30)13-20)27(22-11-3-4-12-23(22)40-15-24(36)37)26-17(2)33-35(29(26)39)21-10-6-8-19(31)14-21/h3-14,27,32-33H,15H2,1-2H3,(H,36,37)