2-nitro-7-(1-thiophen-2-ylethyl)azepane

Systemtic Name: 2-nitro-7-(1-thiophen-2-ylethyl)azepane Openeye Name: 2-nitro-7-[1-(2-thienyl)ethyl]azepane CAS Name: 2-nitro-7-(1-thiophen-2-ylethyl)azepane IUPAC Name: 2-nitro-7-(1-thiophen-2-ylethyl)azepane Traditional Name: 2-nitro-7-[1-(2-thienyl)ethyl]azepane Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC(N1)[N+](=O)[O-])C2=CC=CS2

Isomeric SMILES

CC(C1CCCCC(N1)[N+](=O)[O-])C2=CC=CS2

InChI

InChI=1S/C12H18N2O2S/c1-9(11-6-4-8-17-11)10-5-2-3-7-12(13-10)14(15)16/h4,6,8-10,12-13H,2-3,5,7H2,1H3