ethyl (4S)-4-[chloranyl-[(4S)-3-ethoxycarbonyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methyl]-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl (4S)-4-[chloranyl-[(4S)-3-ethoxycarbonyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methyl]-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl (4S)-4-[chloro-[(4S)-3-ethoxycarbonyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate CAS Name: (4S)-4-[chloro-[(4S)-3-ethoxycarbonyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[chloro-[(4S)-3-ethoxycarbonyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate Traditional Name: (4S)-4-[[(4S)-3-carbethoxy-5-keto-1-phenyl-2-pyrazolin-4-yl]-chloro-methyl]-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C25H23ClN4O6 MolecularWeight: 510.92632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1C(C2C(=NN(C2=O)C3=CC=CC=C3)C(=O)OCC)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)[C@H]1C([C@H]2C(=NN(C2=O)C3=CC=CC=C3)C(=O)OCC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H23ClN4O6/c1-3-35-24(33)20-17(22(31)29(27-20)15-11-7-5-8-12-15)19(26)18-21(25(34)36-4-2)28-30(23(18)32)16-13-9-6-10-14-16/h5-14,17-19H,3-4H2,1-2H3/t17-,18-/m0/s1