N-[(E)-hexan-2-ylideneamino]-3,5-dinitro-benzamide

Systemtic Name: N-[(E)-hexan-2-ylideneamino]-3,5-dinitro-benzamide Openeye Name: N-[(E)-1-methylpentylideneamino]-3,5-dinitro-benzamide CAS Name: N-[(E)-hexan-2-ylideneamino]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-hexan-2-ylideneamino]-3,5-dinitrobenzamide Traditional Name: N-[(E)-1-methylpentylideneamino]-3,5-dinitro-benzamide Formula: C13H16N4O5 MolecularWeight: 308.28994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCCC/C(=N/NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

InChI=1S/C13H16N4O5/c1-3-4-5-9(2)14-15-13(18)10-6-11(16(19)20)8-12(7-10)17(21)22/h6-8H,3-5H2,1-2H3,(H,15,18)/b14-9+