3-(4-chlorophenyl)-N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1H-pyrazole-5-carboxamide Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2)C(=O)NC[C@H](C3=CC=C(C=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C18H15ClN4O4/c19-13-5-1-11(2-6-13)15-9-16(22-21-15)18(25)20-10-17(24)12-3-7-14(8-4-12)23(26)27/h1-9,17,24H,10H2,(H,20,25)(H,21,22)/t17-/m1/s1