N-[(S)-cyano-(4-fluorophenyl)methyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-2-(2-nitrophenoxy)acetamide Formula: C16H12FN3O4 MolecularWeight: 329.282583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC(C#N)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)N[C@H](C#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H12FN3O4/c17-12-7-5-11(6-8-12)13(9-18)19-16(21)10-24-15-4-2-1-3-14(15)20(22)23/h1-8,13H,10H2,(H,19,21)/t13-/m1/s1