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

Systemtic Name: 2-[2-methoxy-4-[(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-oxoprop-2-enyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acryloyl]-2-methoxy-phenoxy]acetic acid Formula: C19H17NO9 MolecularWeight: 403.33958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC(=C(C=C2)OCC(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=CC(=C(C=C2)OCC(=O)O)OC

InChI

InChI=1S/C19H17NO9/c1-27-16-9-12(4-6-15(16)29-10-18(22)23)14(21)5-3-11-7-13(20(25)26)19(24)17(8-11)28-2/h3-9,24H,10H2,1-2H3,(H,22,23)/b5-3+