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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

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