methyl (5R)-5-methyl-1-(4-nitrophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl (5R)-5-methyl-1-(4-nitrophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl (5R)-5-hydroxy-5-methyl-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate CAS Name: (5R)-5-hydroxy-5-methyl-1-[(4-nitrophenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (5R)-5-hydroxy-5-methyl-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate Traditional Name: (5R)-5-hydroxy-5-methyl-1-(4-nitrobenzoyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C13H13N3O6 MolecularWeight: 307.25882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)O

Isomeric SMILES

C[C@]1(CC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)O

InChI

InChI=1S/C13H13N3O6/c1-13(19)7-10(12(18)22-2)14-15(13)11(17)8-3-5-9(6-4-8)16(20)21/h3-6,19H,7H2,1-2H3/t13-/m1/s1