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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[2-nitro-4-(trifluoromethyl)anilino]propionamide Formula: C17H14F3N3O5 MolecularWeight: 397.30537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O5/c18-17(19,20)10-1-3-12(13(7-10)23(25)26)21-6-5-16(24)22-11-2-4-14-15(8-11)28-9-27-14/h1-4,7-8,21H,5-6,9H2,(H,22,24)