2-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H17N3O5S MolecularWeight: 423.44178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C[C@@H](COC3=CC=CC(=C3)[N+](=O)[O-])O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O5S/c25-15(13-29-16-6-3-5-14(11-16)24(27)28)12-23-21(26)18-8-2-1-7-17(18)20(22-23)19-9-4-10-30-19/h1-11,15,25H,12-13H2/t15-/m0/s1