3-[(2-chloranyl-5-nitro-phenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(2-chloro-5-nitro-phenyl)methylamino]azepan-2-one CAS Name: 3-[(2-chloro-5-nitrophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(2-chloro-5-nitrophenyl)methylamino]azepan-2-one Traditional Name: 3-[(2-chloro-5-nitro-benzyl)amino]azepan-2-one Formula: C13H16ClN3O3 MolecularWeight: 297.73744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O3/c14-11-5-4-10(17(19)20)7-9(11)8-16-12-3-1-2-6-15-13(12)18/h4-5,7,12,16H,1-3,6,8H2,(H,15,18)