7-[(4-nitrophenyl)methyl]azepan-2-one

Systemtic Name: 7-[(4-nitrophenyl)methyl]azepan-2-one Openeye Name: 7-[(4-nitrophenyl)methyl]azepan-2-one CAS Name: 7-[(4-nitrophenyl)methyl]-2-azepanone IUPAC Name: 7-[(4-nitrophenyl)methyl]azepan-2-one Traditional Name: 7-(4-nitrobenzyl)azepan-2-one Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)NC(C1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O3/c16-13-4-2-1-3-11(14-13)9-10-5-7-12(8-6-10)15(17)18/h5-8,11H,1-4,9H2,(H,14,16)