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

Systemtic Name: 4-bromanyl-2-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azaniumyl]methyl]phenolate Openeye Name: 4-bromo-2-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)ammonio]methyl]phenolate CAS Name: 4-bromo-2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)ammonio]methyl]phenolate IUPAC Name: 4-bromo-2-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azaniumyl]methyl]phenolate Traditional Name: 4-bromo-2-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)ammonio]methyl]phenolate Formula: C18H18BrN3O2 MolecularWeight: 388.25842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2/c1-12-17(20-11-13-10-14(19)8-9-16(13)23)18(24)22(21(12)2)15-6-4-3-5-7-15/h3-10,20,23H,11H2,1-2H3