4-[(2-chloranyl-5-nitro-phenyl)-[4-(dibutylamino)phenyl]methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)-[4-(dibutylamino)phenyl]methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(2-chloro-5-nitro-phenyl)-[4-(dibutylamino)phenyl]methyl]-N,N-dimethyl-aniline CAS Name: 4-[(2-chloro-5-nitrophenyl)-[4-(dibutylamino)phenyl]methyl]-N,N-dimethylaniline IUPAC Name: 4-[(2-chloro-5-nitrophenyl)-[4-(dibutylamino)phenyl]methyl]-N,N-dimethylaniline Traditional Name: dibutyl-[4-[(2-chloro-5-nitro-phenyl)-(4-dimethylaminophenyl)methyl]phenyl]amine Formula: C29H36ClN3O2 MolecularWeight: 494.06804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36ClN3O2/c1-5-7-19-32(20-8-6-2)25-15-11-23(12-16-25)29(22-9-13-24(14-10-22)31(3)4)27-21-26(33(34)35)17-18-28(27)30/h9-18,21,29H,5-8,19-20H2,1-4H3