(E)-4-[4-[[(E)-1-methylsulfanyl-2-nitro-ethenyl]amino]phenyl]but-3-enoic acid

Systemtic Name: (E)-4-[4-[[(E)-1-methylsulfanyl-2-nitro-ethenyl]amino]phenyl]but-3-enoic acid Openeye Name: (E)-4-[4-[[(E)-1-methylsulfanyl-2-nitro-vinyl]amino]phenyl]but-3-enoic acid CAS Name: (E)-4-[4-[[(E)-1-(methylthio)-2-nitroethenyl]amino]phenyl]-3-butenoic acid IUPAC Name: (E)-4-[4-[[(E)-1-methylsulfanyl-2-nitroethenyl]amino]phenyl]but-3-enoic acid Traditional Name: (E)-4-[4-[[(E)-1-(methylthio)-2-nitro-vinyl]amino]phenyl]but-3-enoic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C[N+](=O)[O-])NC1=CC=C(C=C1)C=CCC(=O)O

Isomeric SMILES

CS/C(=C/[N+](=O)[O-])/NC1=CC=C(C=C1)/C=C/CC(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-20-12(9-15(18)19)14-11-7-5-10(6-8-11)3-2-4-13(16)17/h2-3,5-9,14H,4H2,1H3,(H,16,17)/b3-2+,12-9+