2-[4-[(E)-2-[3-(2-azanylethoxy)phenyl]sulfanylethenyl]-2-nitro-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-2-[3-(2-azanylethoxy)phenyl]sulfanylethenyl]-2-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-[3-(2-aminoethoxy)phenyl]sulfanylvinyl]-2-nitro-phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-[[3-(2-aminoethoxy)phenyl]thio]ethenyl]-2-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-[3-(2-aminoethoxy)phenyl]sulfanylethenyl]-2-nitrophenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-[[3-(2-aminoethoxy)phenyl]thio]vinyl]-2-nitro-phenoxy]acetic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC=CC2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-])OCCN

Isomeric SMILES

C1=CC(=CC(=C1)S/C=C/C2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-])OCCN

InChI

InChI=1S/C18H18N2O6S/c19-7-8-25-14-2-1-3-15(11-14)27-9-6-13-4-5-17(26-12-18(21)22)16(10-13)20(23)24/h1-6,9-11H,7-8,12,19H2,(H,21,22)/b9-6+