1-(5-chloranyl-2,4-dinitro-phenyl)azepane

Systemtic Name: 1-(5-chloranyl-2,4-dinitro-phenyl)azepane Openeye Name: 1-(5-chloro-2,4-dinitro-phenyl)azepane CAS Name: 1-(5-chloro-2,4-dinitrophenyl)azepane IUPAC Name: 1-(5-chloro-2,4-dinitrophenyl)azepane Traditional Name: 1-(5-chloro-2,4-dinitro-phenyl)azepane Formula: C12H14ClN3O4 MolecularWeight: 299.71026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C12H14ClN3O4/c13-9-7-11(14-5-3-1-2-4-6-14)12(16(19)20)8-10(9)15(17)18/h7-8H,1-6H2