N-[4-(azepan-1-ylcarbonyl)phenyl]-2-(2-nitrophenoxy)propanamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-2-(2-nitrophenoxy)propanamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-2-(2-nitrophenoxy)propanamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-2-(2-nitrophenoxy)propanamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-2-(2-nitrophenoxy)propanamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-2-(2-nitrophenoxy)propionamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N2CCCCCC2)OC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N2CCCCCC2)OC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-16(30-20-9-5-4-8-19(20)25(28)29)21(26)23-18-12-10-17(11-13-18)22(27)24-14-6-2-3-7-15-24/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,23,26)