4-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]-N-(phenylmethyl)butanamide

Systemtic Name: 4-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]butanamide CAS Name: 4-[4-(1-hydroxyethyl)-2-methoxy-5-nitrophenoxy]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[4-(1-hydroxyethyl)-2-methoxy-5-nitrophenoxy]butanamide Traditional Name: N-benzyl-4-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]butyramide Formula: C20H24N2O6 MolecularWeight: 388.41436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCC2=CC=CC=C2)OC)O

Isomeric SMILES

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCC2=CC=CC=C2)OC)O

InChI

InChI=1S/C20H24N2O6/c1-14(23)16-11-18(27-2)19(12-17(16)22(25)26)28-10-6-9-20(24)21-13-15-7-4-3-5-8-15/h3-5,7-8,11-12,14,23H,6,9-10,13H2,1-2H3,(H,21,24)