methyl (3R,4S)-3-acetyloxy-2-methyl-5-(2-oxidanylidenechromen-4-yl)-3,4-dihydropyrazole-4-carboxylate

Systemtic Name: methyl (3R,4S)-3-acetyloxy-2-methyl-5-(2-oxidanylidenechromen-4-yl)-3,4-dihydropyrazole-4-carboxylate Openeye Name: methyl (3R,4S)-3-acetoxy-2-methyl-5-(2-oxochromen-4-yl)-3,4-dihydropyrazole-4-carboxylate CAS Name: (3R,4S)-3-acetyloxy-2-methyl-5-(2-oxo-1-benzopyran-4-yl)-3,4-dihydropyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-3-acetyloxy-2-methyl-5-(2-oxochromen-4-yl)-3,4-dihydropyrazole-4-carboxylate Traditional Name: (4S,5R)-5-acetoxy-3-(2-ketochromen-4-yl)-1-methyl-2-pyrazoline-4-carboxylic acid methyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(=NN1C)C2=CC(=O)OC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](C(=NN1C)C2=CC(=O)OC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C17H16N2O6/c1-9(20)24-16-14(17(22)23-3)15(18-19(16)2)11-8-13(21)25-12-7-5-4-6-10(11)12/h4-8,14,16H,1-3H3/t14-,16+/m0/s1