2-chloranyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-1,4-naphthoquinone Formula: C21H15ClF3N3O4 MolecularWeight: 465.80971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C21H15ClF3N3O4/c22-17-18(20(30)14-4-2-1-3-13(14)19(17)29)27-9-7-26(8-10-27)15-6-5-12(21(23,24)25)11-16(15)28(31)32/h1-6,11H,7-10H2