2-chloranyl-1-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-chloranyl-1-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-chloro-1-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-chloro-1-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-chloro-1-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-chloro-1-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]ethanone Formula: C13H16ClN3O3 MolecularWeight: 297.73744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCl)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCl)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClN3O3/c14-10-13(18)16-7-1-6-15(8-9-16)11-2-4-12(5-3-11)17(19)20/h2-5H,1,6-10H2