4-chloranyl-1-(4-nitrophenyl)carbonyl-azepan-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)N(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC(CC(=O)N(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H13ClN2O4/c14-10-2-1-7-15(12(17)8-10)13(18)9-3-5-11(6-4-9)16(19)20/h3-6,10H,1-2,7-8H2