N-[N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[amino(1,3-benzoxazol-2-ylimino)methyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[N'-(1,3-benzoxazol-2-yl)amidino]-2-(2-nitrophenoxy)acetamide Formula: C16H13N5O5 MolecularWeight: 355.30492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)N=C(N)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)N=C(N)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5/c17-15(20-16-18-10-5-1-3-7-12(10)26-16)19-14(22)9-25-13-8-4-2-6-11(13)21(23)24/h1-8H,9H2,(H3,17,18,19,20,22)