2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-N,N'-diphenethyl-propanediamide

Systemtic Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-N,N'-diphenethyl-propanediamide Openeye Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-N,N'-diphenethyl-propanediamide CAS Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-N,N'-diphenethylpropanediamide IUPAC Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-N,N'-diphenethylpropanediamide Traditional Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-N,N'-diphenethyl-malonamide Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C(=O)NCCC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=C(C(=O)NCCC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O6/c31-26(28-13-11-19-7-3-1-4-8-19)22(27(32)29-14-12-20-9-5-2-6-10-20)15-21-16-24-25(36-18-35-24)17-23(21)30(33)34/h1-10,15-17H,11-14,18H2,(H,28,31)(H,29,32)