(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-methoxy-2-nitro-phenoxy)propanamide

Systemtic Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-methoxy-2-nitro-phenoxy)propanamide Openeye Name: (2S)-2-(4-methoxy-2-nitro-phenoxy)-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propanamide CAS Name: (2S)-N-[2-[(2S)-butan-2-yl]-3-pyrazolyl]-2-(4-methoxy-2-nitrophenoxy)propanamide IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-methoxy-2-nitrophenoxy)propanamide Traditional Name: (2S)-2-(4-methoxy-2-nitro-phenoxy)-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propionamide Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5/c1-5-11(2)20-16(8-9-18-20)19-17(22)12(3)26-15-7-6-13(25-4)10-14(15)21(23)24/h6-12H,5H2,1-4H3,(H,19,22)/t11-,12-/m0/s1