1-(4-nitrophenyl)carbonylazepan-2-one

Systemtic Name: 1-(4-nitrophenyl)carbonylazepan-2-one Openeye Name: 1-(4-nitrobenzoyl)azepan-2-one CAS Name: 1-[(4-nitrophenyl)-oxomethyl]-2-azepanone IUPAC Name: 1-(4-nitrobenzoyl)azepan-2-one Traditional Name: 1-(4-nitrobenzoyl)azepan-2-one Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c16-12-4-2-1-3-9-14(12)13(17)10-5-7-11(8-6-10)15(18)19/h5-8H,1-4,9H2