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

Systemtic Name: 2-[4-[(E)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-3-(4-hydroxy-3-nitrophenyl)-1-oxoprop-2-enyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-(4-hydroxy-3-nitro-phenyl)acryloyl]phenoxy]acetic acid Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=CC2=CC(=C(C=C2)O)[N+](=O)[O-])OCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])OCC(=O)O

InChI

InChI=1S/C17H13NO7/c19-15(12-3-5-13(6-4-12)25-10-17(21)22)7-1-11-2-8-16(20)14(9-11)18(23)24/h1-9,20H,10H2,(H,21,22)/b7-1+