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

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2-nitro-phenolate CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2-nitrophenolate Traditional Name: 4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-2-nitro-phenolate Formula: C18H15N4O4- MolecularWeight: 351.3361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4/c1-12-17(18(24)21(20(12)2)14-6-4-3-5-7-14)19-11-13-8-9-16(23)15(10-13)22(25)26/h3-11,23H,1-2H3/p-1