4-chloranyl-N-[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Formula: C22H15Cl2N3O4 MolecularWeight: 456.2782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C22H15Cl2N3O4/c1-11-7-12(2)20-18(8-11)26-22(31-20)15-10-14(4-6-16(15)23)25-21(28)13-3-5-17(24)19(9-13)27(29)30/h3-10H,1-2H3,(H,25,28)