1-[(4-chloranyl-3-nitro-phenyl)methyl]azepan-2-one

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]azepan-2-one Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]azepan-2-one CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-2-azepanone IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]azepan-2-one Traditional Name: 1-(4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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