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

Systemtic Name: 2-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azaniumyl]methyl]-6-methoxy-phenolate Openeye Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)ammonio]methyl]-6-methoxy-phenolate CAS Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)ammonio]methyl]-6-methoxyphenolate IUPAC Name: 2-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azaniumyl]methyl]-6-methoxyphenolate Traditional Name: 2-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)ammonio]methyl]-6-methoxy-phenolate Formula: C19H21N3O3 MolecularWeight: 339.38834

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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)OC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-13-17(20-12-14-8-7-11-16(25-3)18(14)23)19(24)22(21(13)2)15-9-5-4-6-10-15/h4-11,20,23H,12H2,1-3H3