(E)-3-[3-[(2,6-dimethyl-4-nitro-phenoxy)methyl]-4-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(2,6-dimethyl-4-nitro-phenoxy)methyl]-4-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(2,6-dimethyl-4-nitro-phenoxy)methyl]-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[(2,6-dimethyl-4-nitrophenoxy)methyl]-4-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(2,6-dimethyl-4-nitrophenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(2,6-dimethyl-4-nitro-phenoxy)methyl]-4-methoxy-phenyl]acrylic acid Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=C(C=CC(=C2)C=CC(=O)O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=C(C=CC(=C2)/C=C/C(=O)O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO6/c1-12-8-16(20(23)24)9-13(2)19(12)26-11-15-10-14(5-7-18(21)22)4-6-17(15)25-3/h4-10H,11H2,1-3H3,(H,21,22)/b7-5+