(E)-2-acetamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-ethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[4-(2,4-dinitrobenzyl)oxy-3-ethoxy-phenyl]acrylic acid Formula: C20H19N3O9 MolecularWeight: 445.37956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C(=O)O)NC(=O)C)OCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)OCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O9/c1-3-31-19-9-13(8-16(20(25)26)21-12(2)24)4-7-18(19)32-11-14-5-6-15(22(27)28)10-17(14)23(29)30/h4-10H,3,11H2,1-2H3,(H,21,24)(H,25,26)/b16-8+