3-(4-cyanophenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: 3-(4-cyanophenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: 3-(4-cyanophenyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]propanamide CAS Name: 3-(4-cyanophenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide IUPAC Name: 3-(4-cyanophenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide Traditional Name: 3-(4-cyanophenyl)-N-(2-hydroxy-5-nitro-benzyl)propionamide Formula: C17H15N3O4 MolecularWeight: 325.3187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C#N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C#N

InChI

InChI=1S/C17H15N3O4/c18-10-13-3-1-12(2-4-13)5-8-17(22)19-11-14-9-15(20(23)24)6-7-16(14)21/h1-4,6-7,9,21H,5,8,11H2,(H,19,22)