4-(azepan-1-yl)-N-(2-fluoranyl-5-nitro-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2-fluoranyl-5-nitro-phenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-fluoro-5-nitro-phenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-fluoro-5-nitrophenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-fluoro-5-nitrophenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-fluoro-5-nitro-phenyl)-3-nitro-benzamide Formula: C19H19FN4O5 MolecularWeight: 402.376363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)[N+](=O)[O-]

InChI

InChI=1S/C19H19FN4O5/c20-15-7-6-14(23(26)27)12-16(15)21-19(25)13-5-8-17(18(11-13)24(28)29)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2,(H,21,25)