N-ethyl-2-[(1-nitro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)sulfanyl]ethanamine

Systemtic Name: N-ethyl-2-[(1-nitro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)sulfanyl]ethanamine Openeye Name: N-ethyl-2-[(1-nitro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)sulfanyl]ethanamine CAS Name: N-ethyl-2-[(1-nitro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)thio]ethanamine IUPAC Name: N-ethyl-2-[(1-nitro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)sulfanyl]ethanamine Traditional Name: ethyl-[2-[(1-nitro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)thio]ethyl]amine Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCSC1CC2=C(C(=CC=C2)[N+](=O)[O-])OC3=CC=CC=C13

Isomeric SMILES

CCNCCSC1CC2=C(C(=CC=C2)[N+](=O)[O-])OC3=CC=CC=C13

InChI

InChI=1S/C18H20N2O3S/c1-2-19-10-11-24-17-12-13-6-5-8-15(20(21)22)18(13)23-16-9-4-3-7-14(16)17/h3-9,17,19H,2,10-12H2,1H3