4-chloranyl-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-6-iodanyl-phenolate

Systemtic Name: 4-chloranyl-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-6-iodanyl-phenolate Openeye Name: 4-chloro-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-6-iodo-phenolate CAS Name: 4-chloro-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-6-iodophenolate IUPAC Name: 4-chloro-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-iodophenolate Traditional Name: 4-chloro-2-iodo-6-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]phenolate Formula: C18H14ClIN3O2- MolecularWeight: 466.68013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC(=C3[O-])I)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC(=C3[O-])I)Cl

InChI

InChI=1S/C18H15ClIN3O2/c1-11-16(21-10-12-8-13(19)9-15(20)17(12)24)18(25)23(22(11)2)14-6-4-3-5-7-14/h3-10,24H,1-2H3/p-1