[2-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [2-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 2-bromanylbenzoate Openeye Name: [2-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [2-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C24H17BrN2O3 MolecularWeight: 461.30738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2OC(=O)C3=CC=CC=C3Br)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=CC=C2OC(=O)C3=CC=CC=C3Br)C4=CC=CC=C4

InChI

InChI=1S/C24H17BrN2O3/c1-16-20(23(28)27(26-16)18-10-3-2-4-11-18)15-17-9-5-8-14-22(17)30-24(29)19-12-6-7-13-21(19)25/h2-15H,1H3/b20-15-