2-chloranyl-5-nitro-N-[4-(octylamino)phenyl]-N-phenyl-benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-[4-(octylamino)phenyl]-N-phenyl-benzamide Openeye Name: 2-chloro-5-nitro-N-[4-(octylamino)phenyl]-N-phenyl-benzamide CAS Name: 2-chloro-5-nitro-N-[4-(octylamino)phenyl]-N-phenylbenzamide IUPAC Name: 2-chloro-5-nitro-N-[4-(octylamino)phenyl]-N-phenylbenzamide Traditional Name: 2-chloro-5-nitro-N-[4-(octylamino)phenyl]-N-phenyl-benzamide Formula: C27H30ClN3O3 MolecularWeight: 479.9984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCCCNC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H30ClN3O3/c1-2-3-4-5-6-10-19-29-21-13-15-23(16-14-21)30(22-11-8-7-9-12-22)27(32)25-20-24(31(33)34)17-18-26(25)28/h7-9,11-18,20,29H,2-6,10,19H2,1H3