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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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