(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(2-nitrophenoxy)propanamide

Systemtic Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(2-nitrophenoxy)propanamide Openeye Name: (2S)-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-2-(2-nitrophenoxy)propanamide CAS Name: (2S)-N-[2-[(2S)-butan-2-yl]-3-pyrazolyl]-2-(2-nitrophenoxy)propanamide IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(2-nitrophenoxy)propanamide Traditional Name: (2S)-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-2-(2-nitrophenoxy)propionamide Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)OC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)OC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4/c1-4-11(2)19-15(9-10-17-19)18-16(21)12(3)24-14-8-6-5-7-13(14)20(22)23/h5-12H,4H2,1-3H3,(H,18,21)/t11-,12-/m0/s1