N-[(2S)-1-methoxypropan-2-yl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide CAS Name: N-[(2S)-1-methoxypropan-2-yl]-2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetamide IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[C@@H](COC)NC(=O)CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-15(14-29-2)22-20(26)12-17-13-24(18-6-4-3-5-7-18)23-21(17)16-8-10-19(11-9-16)25(27)28/h3-11,13,15H,12,14H2,1-2H3,(H,22,26)/t15-/m0/s1