[(1S)-1-(3-nitrophenyl)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O4/c1-12(14-8-5-9-15(10-14)21(23)24)25-18(22)17-11-16(19-20-17)13-6-3-2-4-7-13/h2-12H,1H3,(H,19,20)/t12-/m0/s1