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

Systemtic Name: [4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] 2-chloranylbenzoate Openeye Name: [4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]phenyl] ester IUPAC Name: [4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]phenyl] ester Formula: C25H20ClN3O3 MolecularWeight: 445.8976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H20ClN3O3/c1-17-23(24(30)29(28(17)2)19-8-4-3-5-9-19)27-16-18-12-14-20(15-13-18)32-25(31)21-10-6-7-11-22(21)26/h3-16H,1-2H3