4-chloranyl-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Formula: C22H16ClN3O4 MolecularWeight: 421.83314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O4/c1-2-13-6-9-20-18(10-13)25-22(30-20)15-4-3-5-16(11-15)24-21(27)14-7-8-17(23)19(12-14)26(28)29/h3-12H,2H2,1H3,(H,24,27)