2-[[5-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[5-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[5-[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetate IUPAC Name: 2-[[5-[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetate Formula: C19H15ClNO6S- MolecularWeight: 420.8435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO6S/c1-27-18-7-4-13(9-14(18)10-28-11-19(23)24)17(22)6-3-12-2-5-15(20)16(8-12)21(25)26/h2-9H,10-11H2,1H3,(H,23,24)/p-1/b6-3+