3-(2-chloranyl-4-nitro-phenoxy)azepan-2-one

Systemtic Name: 3-(2-chloranyl-4-nitro-phenoxy)azepan-2-one Openeye Name: 3-(2-chloro-4-nitro-phenoxy)azepan-2-one CAS Name: 3-(2-chloro-4-nitrophenoxy)-2-azepanone IUPAC Name: 3-(2-chloro-4-nitrophenoxy)azepan-2-one Traditional Name: 3-(2-chloro-4-nitro-phenoxy)azepan-2-one Formula: C12H13ClN2O4 MolecularWeight: 284.69562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN2O4/c13-9-7-8(15(17)18)4-5-10(9)19-11-3-1-2-6-14-12(11)16/h4-5,7,11H,1-3,6H2,(H,14,16)