azepan-1-yl-(2-chloranyl-3,5-dinitro-phenyl)methanone

Systemtic Name: azepan-1-yl-(2-chloranyl-3,5-dinitro-phenyl)methanone Openeye Name: azepan-1-yl-(2-chloro-3,5-dinitro-phenyl)methanone CAS Name: 1-azepanyl-(2-chloro-3,5-dinitrophenyl)methanone IUPAC Name: azepan-1-yl-(2-chloro-3,5-dinitrophenyl)methanone Traditional Name: azepan-1-yl-(2-chloro-3,5-dinitro-phenyl)methanone Formula: C13H14ClN3O5 MolecularWeight: 327.72036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN3O5/c14-12-10(13(18)15-5-3-1-2-4-6-15)7-9(16(19)20)8-11(12)17(21)22/h7-8H,1-6H2