N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 5-(2-chlorophenyl)-N-[(1S)-1-methylpropyl]-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 5-(2-chlorophenyl)-N-[(1S)-1-methylpropyl]-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C20H19ClN4O3/c1-3-13(2)22-20(26)19-12-18(16-9-4-5-10-17(16)21)23-24(19)14-7-6-8-15(11-14)25(27)28/h4-13H,3H2,1-2H3,(H,22,26)/t13-/m0/s1