N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-piperonyl-propionamide Formula: C18H16F3N3O5 MolecularWeight: 411.33195

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N3O5/c19-18(20,21)12-2-3-13(14(8-12)24(26)27)22-6-5-17(25)23-9-11-1-4-15-16(7-11)29-10-28-15/h1-4,7-8,22H,5-6,9-10H2,(H,23,25)