N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-phenylphenoxy)propanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-phenylphenoxy)propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-phenylphenoxy)propanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-phenylphenoxy)propanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-phenylphenoxy)propanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-phenylphenoxy)propionamide Formula: C22H17N3O4S MolecularWeight: 419.45308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O4S/c1-14(29-18-10-7-16(8-11-18)15-5-3-2-4-6-15)21(26)24-22-23-19-12-9-17(25(27)28)13-20(19)30-22/h2-14H,1H3,(H,23,24,26)