2,4-bis(chloranyl)-6-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azaniumyl]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azaniumyl]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)ammonio]methyl]phenolate CAS Name: 2,4-dichloro-6-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)ammonio]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azaniumyl]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)ammonio]methyl]phenolate Formula: C18H17Cl2N3O2 MolecularWeight: 378.25248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH2+]CC3=CC(=CC(=C3[O-])Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH2+]CC3=CC(=CC(=C3[O-])Cl)Cl

InChI

InChI=1S/C18H17Cl2N3O2/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/h3-9,21,24H,10H2,1-2H3