2-chloranyl-N-[4-[hexyl(octyl)amino]phenyl]-5-nitro-N-phenyl-benzamide hydrochloride

Systemtic Name: 2-chloranyl-N-[4-[hexyl(octyl)amino]phenyl]-5-nitro-N-phenyl-benzamide hydrochloride Openeye Name: 2-chloro-N-[4-[hexyl(octyl)amino]phenyl]-5-nitro-N-phenyl-benzamide hydrochloride CAS Name: 2-chloro-N-[4-[hexyl(octyl)amino]phenyl]-5-nitro-N-phenylbenzamide hydrochloride IUPAC Name: 2-chloro-N-[4-[hexyl(octyl)amino]phenyl]-5-nitro-N-phenylbenzamide hydrochloride Traditional Name: 2-chloro-N-[4-[hexyl(octyl)amino]phenyl]-5-nitro-N-phenyl-benzamide hydrochloride Formula: C33H43Cl2N3O3 MolecularWeight: 600.61882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCC)C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl.Cl

Isomeric SMILES

CCCCCCCCN(CCCCCC)C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl.Cl

InChI

InChI=1S/C33H42ClN3O3.ClH/c1-3-5-7-9-10-15-25-35(24-14-8-6-4-2)27-18-20-29(21-19-27)36(28-16-12-11-13-17-28)33(38)31-26-30(37(39)40)22-23-32(31)34;/h11-13,16-23,26H,3-10,14-15,24-25H2,1-2H3;1H