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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O3/c1-10(18)15-5-2-6-16(8-7-15)13-4-3-11(17(19)20)9-12(13)14/h3-4,9H,2,5-8H2,1H3