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

Systemtic Name: 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-4-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=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

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

InChI

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