2-[[2-methoxy-5-[(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C20H19NO8S MolecularWeight: 433.43176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])CSCC(=O)O

InChI

InChI=1S/C20H19NO8S/c1-28-17-6-4-13(9-14(17)10-30-11-19(23)24)16(22)5-3-12-7-15(21(26)27)20(25)18(8-12)29-2/h3-9,25H,10-11H2,1-2H3,(H,23,24)/b5-3+