2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(phenylmethyl)aniline

Systemtic Name: 2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(phenylmethyl)aniline Openeye Name: N-benzyl-2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]aniline CAS Name: 2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]aniline Traditional Name: benzyl-[2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]phenyl]amine Formula: C24H22F3N5O4 MolecularWeight: 501.45779

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H22F3N5O4/c25-24(26,27)18-6-8-22(23(14-18)32(35)36)30-12-10-29(11-13-30)19-7-9-21(31(33)34)20(15-19)28-16-17-4-2-1-3-5-17/h1-9,14-15,28H,10-13,16H2