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

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(4-hydroxy-3-nitrophenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(4-hydroxy-3-nitro-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C19H17NO7S MolecularWeight: 403.40578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO7S/c1-27-18-7-4-13(9-14(18)10-28-11-19(23)24)16(21)5-2-12-3-6-17(22)15(8-12)20(25)26/h2-9,22H,10-11H2,1H3,(H,23,24)/b5-2+