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

Systemtic Name: N-[(2S)-butan-2-yl]-5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 5-(3-methoxyphenyl)-N-[(1S)-1-methylpropyl]-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 5-(3-methoxyphenyl)-N-[(1S)-1-methylpropyl]-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-4-14(2)22-21(26)20-13-19(15-7-5-10-18(11-15)29-3)23-24(20)16-8-6-9-17(12-16)25(27)28/h5-14H,4H2,1-3H3,(H,22,26)/t14-/m0/s1