4-(azepan-1-yl)-N-[4-[bis(fluoranyl)methoxy]phenyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[4-[bis(fluoranyl)methoxy]phenyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[4-(difluoromethoxy)phenyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[4-(difluoromethoxy)phenyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[4-(difluoromethoxy)phenyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[4-(difluoromethoxy)phenyl]-3-nitro-benzamide Formula: C20H21F2N3O4 MolecularWeight: 405.395246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F2N3O4/c21-20(22)29-16-8-6-15(7-9-16)23-19(26)14-5-10-17(18(13-14)25(27)28)24-11-3-1-2-4-12-24/h5-10,13,20H,1-4,11-12H2,(H,23,26)