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

Systemtic Name: N-[4-[butyl(octyl)amino]phenyl]-2-chloranyl-5-nitro-N-phenyl-benzamide hydrochloride Openeye Name: N-[4-[butyl(octyl)amino]phenyl]-2-chloro-5-nitro-N-phenyl-benzamide hydrochloride CAS Name: N-[4-[butyl(octyl)amino]phenyl]-2-chloro-5-nitro-N-phenylbenzamide hydrochloride IUPAC Name: N-[4-[butyl(octyl)amino]phenyl]-2-chloro-5-nitro-N-phenylbenzamide hydrochloride Traditional Name: N-[4-[butyl(octyl)amino]phenyl]-2-chloro-5-nitro-N-phenyl-benzamide hydrochloride Formula: C31H39Cl2N3O3 MolecularWeight: 572.56566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCC)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(CCCC)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/C31H38ClN3O3.ClH/c1-3-5-7-8-9-13-23-33(22-6-4-2)25-16-18-27(19-17-25)34(26-14-11-10-12-15-26)31(36)29-24-28(35(37)38)20-21-30(29)32;/h10-12,14-21,24H,3-9,13,22-23H2,1-2H3;1H