(2S)-N-(4-fluoranyl-3-nitro-phenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

Systemtic Name: (2S)-N-(4-fluoranyl-3-nitro-phenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Openeye Name: (2S)-N-(4-fluoro-3-nitro-phenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide CAS Name: (2S)-N-(4-fluoro-3-nitrophenyl)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanamide IUPAC Name: (2S)-N-(4-fluoro-3-nitrophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Traditional Name: (2S)-N-(4-fluoro-3-nitro-phenyl)-2-[[(E)-3-phenylacryloyl]amino]propionamide Formula: C18H16FN3O4 MolecularWeight: 357.335743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H16FN3O4/c1-12(20-17(23)10-7-13-5-3-2-4-6-13)18(24)21-14-8-9-15(19)16(11-14)22(25)26/h2-12H,1H3,(H,20,23)(H,21,24)/b10-7+/t12-/m0/s1