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

Systemtic Name: N,N-dibutyl-4-[(2-chloranyl-5-nitro-phenyl)-[4-(dibutylamino)phenyl]methyl]aniline Openeye Name: N,N-dibutyl-4-[(2-chloro-5-nitro-phenyl)-[4-(dibutylamino)phenyl]methyl]aniline CAS Name: N,N-dibutyl-4-[(2-chloro-5-nitrophenyl)-[4-(dibutylamino)phenyl]methyl]aniline IUPAC Name: N,N-dibutyl-4-[(2-chloro-5-nitrophenyl)-[4-(dibutylamino)phenyl]methyl]aniline Traditional Name: dibutyl-[4-[(2-chloro-5-nitro-phenyl)-[4-(dibutylamino)phenyl]methyl]phenyl]amine Formula: C35H48ClN3O2 MolecularWeight: 578.22752

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H48ClN3O2/c1-5-9-23-37(24-10-6-2)30-17-13-28(14-18-30)35(33-27-32(39(40)41)21-22-34(33)36)29-15-19-31(20-16-29)38(25-11-7-3)26-12-8-4/h13-22,27,35H,5-12,23-26H2,1-4H3