2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-4,6-dinitro-phenolate

Systemtic Name: 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-4,6-dinitro-phenolate Formula: C18H14N5O6- MolecularWeight: 396.33366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O6/c1-11-16(18(25)21(20(11)2)13-6-4-3-5-7-13)19-10-12-8-14(22(26)27)9-15(17(12)24)23(28)29/h3-10,24H,1-2H3/p-1