1-[4-[methyl(thiolan-3-yl)amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[methyl(thiolan-3-yl)amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[methyl(tetrahydrothiophen-3-yl)amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[methyl(3-thiolanyl)amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[methyl(thiolan-3-yl)amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[methyl(tetrahydrothiophen-3-yl)amino]-3-nitro-phenyl]ethanone Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N(C)C2CCSC2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N(C)C2CCSC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O3S/c1-9(16)10-3-4-12(13(7-10)15(17)18)14(2)11-5-6-19-8-11/h3-4,7,11H,5-6,8H2,1-2H3