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

Systemtic Name: 2-[2-methoxy-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]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-3-(4-hydroxy-3-nitrophenyl)-1-oxoprop-2-enyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-(4-hydroxy-3-nitro-phenyl)acryloyl]-2-methoxy-phenoxy]acetic acid Formula: C18H15NO8 MolecularWeight: 373.3136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO8/c1-26-17-9-12(4-7-16(17)27-10-18(22)23)14(20)5-2-11-3-6-15(21)13(8-11)19(24)25/h2-9,21H,10H2,1H3,(H,22,23)/b5-2+