4-chloranyl-2-[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azaniumyl]ethyl]phenolate

Systemtic Name: 4-chloranyl-2-[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azaniumyl]ethyl]phenolate Openeye Name: 4-chloro-2-[1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)ammonio]ethyl]phenolate CAS Name: 4-chloro-2-[1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)ammonio]ethyl]phenolate IUPAC Name: 4-chloro-2-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azaniumyl]ethyl]phenolate Traditional Name: 4-chloro-2-[1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)ammonio]ethyl]phenolate Formula: C19H20ClN3O2 MolecularWeight: 357.834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH2+]C(C)C3=C(C=CC(=C3)Cl)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH2+]C(C)C3=C(C=CC(=C3)Cl)[O-]

InChI

InChI=1S/C19H20ClN3O2/c1-12(16-11-14(20)9-10-17(16)24)21-18-13(2)22(3)23(19(18)25)15-7-5-4-6-8-15/h4-12,21,24H,1-3H3