3-[4-[(E)-3-(4-nitrophenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]propanoic acid

Systemtic Name: 3-[4-[(E)-3-(4-nitrophenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]propanoic acid Openeye Name: 3-[4-[(E)-3-(4-nitrophenyl)-3-oxo-prop-1-enyl]phenoxy]propanoic acid CAS Name: 3-[4-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]propanoic acid IUPAC Name: 3-[4-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]propanoic acid Traditional Name: 3-[4-[(E)-3-keto-3-(4-nitrophenyl)prop-1-enyl]phenoxy]propionic acid Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO6/c20-17(14-4-6-15(7-5-14)19(23)24)10-3-13-1-8-16(9-2-13)25-12-11-18(21)22/h1-10H,11-12H2,(H,21,22)/b10-3+