2-(2-nitro-1-thiophen-2-yl-ethyl)azepane

Systemtic Name: 2-(2-nitro-1-thiophen-2-yl-ethyl)azepane Openeye Name: 2-[2-nitro-1-(2-thienyl)ethyl]azepane CAS Name: 2-(2-nitro-1-thiophen-2-ylethyl)azepane IUPAC Name: 2-(2-nitro-1-thiophen-2-ylethyl)azepane Traditional Name: 2-[2-nitro-1-(2-thienyl)ethyl]azepane Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)C(C[N+](=O)[O-])C2=CC=CS2

Isomeric SMILES

C1CCC(NCC1)C(C[N+](=O)[O-])C2=CC=CS2

InChI

InChI=1S/C12H18N2O2S/c15-14(16)9-10(12-6-4-8-17-12)11-5-2-1-3-7-13-11/h4,6,8,10-11,13H,1-3,5,7,9H2