3-[(3-nitrophenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(3-nitrophenyl)methylamino]azepan-2-one Openeye Name: 3-[(3-nitrophenyl)methylamino]azepan-2-one CAS Name: 3-[(3-nitrophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(3-nitrophenyl)methylamino]azepan-2-one Traditional Name: 3-[(3-nitrobenzyl)amino]azepan-2-one Formula: C13H17N3O3 MolecularWeight: 263.29238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c17-13-12(6-1-2-7-14-13)15-9-10-4-3-5-11(8-10)16(18)19/h3-5,8,12,15H,1-2,6-7,9H2,(H,14,17)