(E)-2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-3-(3,4-dimethoxy-2-nitro-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-3-(3,4-dimethoxy-2-nitro-phenyl)prop-2-enoic acid Openeye Name: (E)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)-3-(3,4-dimethoxy-2-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(3,4-dimethoxy-2-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(3,4-dimethoxy-2-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)-3-(3,4-dimethoxy-2-nitro-phenyl)acrylic acid Formula: C20H20BrNO8 MolecularWeight: 482.2787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=CC2=C(C(=C(C=C2)OC)OC)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C(=C\C2=C(C(=C(C=C2)OC)OC)[N+](=O)[O-])/C(=O)O)OC

InChI

InChI=1S/C20H20BrNO8/c1-5-30-18-14(21)9-12(10-16(18)28-3)13(20(23)24)8-11-6-7-15(27-2)19(29-4)17(11)22(25)26/h6-10H,5H2,1-4H3,(H,23,24)/b13-8+