[(1R)-1-(3-nitrophenyl)ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C17H20ClN3O4 MolecularWeight: 365.8114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OC(C)C2=CC(=CC=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C2=CC(=CC=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H20ClN3O4/c1-4-5-9-20-16(18)15(11(2)19-20)17(22)25-12(3)13-7-6-8-14(10-13)21(23)24/h6-8,10,12H,4-5,9H2,1-3H3/t12-/m1/s1