1-(4-chloranyl-2-nitro-phenyl)carbonylazepan-2-one

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)carbonylazepan-2-one Openeye Name: 1-(4-chloro-2-nitro-benzoyl)azepan-2-one CAS Name: 1-[(4-chloro-2-nitrophenyl)-oxomethyl]-2-azepanone IUPAC Name: 1-(4-chloro-2-nitrobenzoyl)azepan-2-one Traditional Name: 1-(4-chloro-2-nitro-benzoyl)azepan-2-one Formula: C13H13ClN2O4 MolecularWeight: 296.70632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O4/c14-9-5-6-10(11(8-9)16(19)20)13(18)15-7-3-1-2-4-12(15)17/h5-6,8H,1-4,7H2