2-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide

Systemtic Name: 2-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide Openeye Name: 2-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-N,N'-diisopentyl-propanediamide CAS Name: 2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide IUPAC Name: 2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide Traditional Name: 2-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-N,N'-diisoamyl-malonamide Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(=CC1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])C(=O)NCCC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C(=CC1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])C(=O)NCCC(C)C

InChI

InChI=1S/C21H31N3O6/c1-13(2)6-8-22-20(26)16(21(27)23-9-7-14(3)4)10-15-11-17(24(28)29)19(25)18(12-15)30-5/h10-14,25H,6-9H2,1-5H3,(H,22,26)(H,23,27)