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

Systemtic Name: 2-[4-[3-methoxy-5-[(E)-2-nitroethenyl]-2-oxidanyl-phenoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[2-hydroxy-3-methoxy-5-[(E)-2-nitrovinyl]phenoxy]phenyl]acetic acid CAS Name: 2-[4-[2-hydroxy-3-methoxy-5-[(E)-2-nitroethenyl]phenoxy]phenyl]acetic acid IUPAC Name: 2-[4-[2-hydroxy-3-methoxy-5-[(E)-2-nitroethenyl]phenoxy]phenyl]acetic acid Traditional Name: 2-[4-[2-hydroxy-3-methoxy-5-[(E)-2-nitrovinyl]phenoxy]phenyl]acetic acid Formula: C17H15NO7 MolecularWeight: 345.3035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC2=CC=C(C=C2)CC(=O)O)C=C[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)OC2=CC=C(C=C2)CC(=O)O)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C17H15NO7/c1-24-14-8-12(6-7-18(22)23)9-15(17(14)21)25-13-4-2-11(3-5-13)10-16(19)20/h2-9,21H,10H2,1H3,(H,19,20)/b7-6+