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

Systemtic Name: N,N'-bis(3-methylbutyl)-2-[(3-nitro-4-oxidanyl-phenyl)methylidene]propanediamide Openeye Name: 2-[(4-hydroxy-3-nitro-phenyl)methylene]-N,N'-diisopentyl-propanediamide CAS Name: 2-[(4-hydroxy-3-nitrophenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide IUPAC Name: 2-[(4-hydroxy-3-nitrophenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide Traditional Name: 2-(4-hydroxy-3-nitro-benzylidene)-N,N'-diisoamyl-malonamide Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5/c1-13(2)7-9-21-19(25)16(20(26)22-10-8-14(3)4)11-15-5-6-18(24)17(12-15)23(27)28/h5-6,11-14,24H,7-10H2,1-4H3,(H,21,25)(H,22,26)