2-[2-fluoranyl-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-fluoranyl-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-fluoro-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]sulfanylacetic acid CAS Name: 2-[[2-fluoro-4-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-fluoro-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-fluoro-4-[(E)-3-(3-nitrophenyl)acryloyl]phenyl]thio]acetic acid Formula: C17H12FNO5S MolecularWeight: 361.344283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)C2=CC(=C(C=C2)SCC(=O)O)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)C2=CC(=C(C=C2)SCC(=O)O)F

InChI

InChI=1S/C17H12FNO5S/c18-14-9-12(5-7-16(14)25-10-17(21)22)15(20)6-4-11-2-1-3-13(8-11)19(23)24/h1-9H,10H2,(H,21,22)/b6-4+