4-[(4S)-4-[(1S)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]-3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-[(4S)-4-[(1S)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]-3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(4S)-4-[(1S)-1-cyano-2-ethoxy-2-oxo-ethyl]-3-methyl-5-oxo-1-phenyl-pyrazol-4-yl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(4S)-4-[(1S)-1-cyano-2-ethoxy-2-oxoethyl]-3-methyl-5-oxo-1-phenyl-4-pyrazolyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(4S)-4-[(1S)-1-cyano-2-ethoxy-2-oxoethyl]-3-methyl-5-oxo-1-phenylpyrazol-4-yl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(4S)-4-[(1S)-1-cyano-2-ethoxy-2-keto-ethyl]-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C25H22N5O4- MolecularWeight: 456.47328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C(=NN(C1=O)C2=CC=CC=C2)C)C3=C(N(N=C3C)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C#N)[C@@]1(C(=NN(C1=O)C2=CC=CC=C2)C)C3=C(N(N=C3C)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H23N5O4/c1-4-34-23(32)20(15-26)25(17(3)28-30(24(25)33)19-13-9-6-10-14-19)21-16(2)27-29(22(21)31)18-11-7-5-8-12-18/h5-14,20,31H,4H2,1-3H3/p-1/t20-,25-/m0/s1