[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] 2-bromanylbenzoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]phenyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]phenyl] ester Formula: C25H20BrN3O3 MolecularWeight: 490.3486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3OC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3OC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C25H20BrN3O3/c1-17-23(24(30)29(28(17)2)19-11-4-3-5-12-19)27-16-18-10-6-9-15-22(18)32-25(31)20-13-7-8-14-21(20)26/h3-16H,1-2H3