N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methyl-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methyl-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methyl-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-methyl-piperonyl-amine Formula: C16H12ClF3N2O4 MolecularWeight: 388.72569

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C(=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C(=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClF3N2O4/c1-21(7-9-2-3-14-15(4-9)26-8-25-14)12-6-11(17)10(16(18,19)20)5-13(12)22(23)24/h2-6H,7-8H2,1H3