(E)-3-[2-[methyl(thiolan-3-yl)amino]-5-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[methyl(thiolan-3-yl)amino]-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[methyl(tetrahydrothiophen-3-yl)amino]-5-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[methyl(3-thiolanyl)amino]-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[methyl(thiolan-3-yl)amino]-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[methyl(tetrahydrothiophen-3-yl)amino]-5-nitro-phenyl]acrylic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

CN(C1CCSC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-15(12-6-7-21-9-12)13-4-3-11(16(19)20)8-10(13)2-5-14(17)18/h2-5,8,12H,6-7,9H2,1H3,(H,17,18)/b5-2+