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

Systemtic Name: 4-(azepan-1-yl)-N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(4-chloro-2-fluoro-phenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(4-chloro-2-fluoro-phenyl)-3-nitro-benzamide Formula: C19H19ClFN3O3 MolecularWeight: 391.823863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClFN3O3/c20-14-6-7-16(15(21)12-14)22-19(25)13-5-8-17(18(11-13)24(26)27)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10H2,(H,22,25)