1-[(2-chloranyl-5-nitro-phenyl)methyl]azepan-2-one

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]azepan-2-one Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]azepan-2-one CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-2-azepanone IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]azepan-2-one Traditional Name: 1-(2-chloro-5-nitro-benzyl)azepan-2-one Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN2O3/c14-12-6-5-11(16(18)19)8-10(12)9-15-7-3-1-2-4-13(15)17/h5-6,8H,1-4,7,9H2