1-(azepan-1-yl)-2-(4-chloranyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-chloranyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(azepan-1-yl)-2-(4-chloro-2-nitro-phenoxy)ethanone CAS Name: 1-(1-azepanyl)-2-(4-chloro-2-nitrophenoxy)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-chloro-2-nitrophenoxy)ethanone Traditional Name: 1-(azepan-1-yl)-2-(4-chloro-2-nitro-phenoxy)ethanone Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H17ClN2O4/c15-11-5-6-13(12(9-11)17(19)20)21-10-14(18)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2