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

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C2=CC(=CC=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C2=CC(=CC=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O4/c1-13-18(19(21)23(22-13)12-15-7-4-3-5-8-15)20(25)28-14(2)16-9-6-10-17(11-16)24(26)27/h3-11,14H,12H2,1-2H3/t14-/m1/s1