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

Systemtic Name: 2-[bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-6-nitro-phenolate Openeye Name: 2-[bis(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-6-nitro-phenolate CAS Name: 2-[bis(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-6-nitrophenolate IUPAC Name: 2-[bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-6-nitrophenolate Traditional Name: 2-[bis(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-6-nitro-phenolate Formula: C29H26N5O5- MolecularWeight: 524.54724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C(=CC=C3)[N+](=O)[O-])[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C(=CC=C3)[N+](=O)[O-])[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C29H27N5O5/c1-18-24(28(36)32(30(18)3)20-12-7-5-8-13-20)26(22-16-11-17-23(27(22)35)34(38)39)25-19(2)31(4)33(29(25)37)21-14-9-6-10-15-21/h5-17,26,35H,1-4H3/p-1