N-[(E)-1-acetamidopropan-2-ylideneamino]-3,5-dinitro-benzamide

Systemtic Name: N-[(E)-1-acetamidopropan-2-ylideneamino]-3,5-dinitro-benzamide Openeye Name: N-[(E)-(2-acetamido-1-methyl-ethylidene)amino]-3,5-dinitro-benzamide CAS Name: N-[(E)-1-acetamidopropan-2-ylideneamino]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-1-acetamidopropan-2-ylideneamino]-3,5-dinitrobenzamide Traditional Name: N-[(E)-(2-acetamido-1-methyl-ethylidene)amino]-3,5-dinitro-benzamide Formula: C12H13N5O6 MolecularWeight: 323.26152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O6/c1-7(6-13-8(2)18)14-15-12(19)9-3-10(16(20)21)5-11(4-9)17(22)23/h3-5H,6H2,1-2H3,(H,13,18)(H,15,19)/b14-7+