5-nitro-N-[2-[[(2S)-2-phenylbutyl]carbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: 5-nitro-N-[2-[[(2S)-2-phenylbutyl]carbamoyl]phenyl]furan-2-carboxamide Openeye Name: 5-nitro-N-[2-[[(2S)-2-phenylbutyl]carbamoyl]phenyl]furan-2-carboxamide CAS Name: 5-nitro-N-[2-[oxo-[[(2S)-2-phenylbutyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: 5-nitro-N-[2-[[(2S)-2-phenylbutyl]carbamoyl]phenyl]furan-2-carboxamide Traditional Name: 5-nitro-N-[2-[[(2S)-2-phenylbutyl]carbamoyl]phenyl]-2-furamide Formula: C22H21N3O5 MolecularWeight: 407.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-2-15(16-8-4-3-5-9-16)14-23-21(26)17-10-6-7-11-18(17)24-22(27)19-12-13-20(30-19)25(28)29/h3-13,15H,2,14H2,1H3,(H,23,26)(H,24,27)/t15-/m1/s1