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

Systemtic Name: (E)-2-acetamido-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-ethoxy-4-(4-nitrobenzyl)oxy-phenyl]acrylic acid Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-3-28-19-11-15(10-17(20(24)25)21-13(2)23)6-9-18(19)29-12-14-4-7-16(8-5-14)22(26)27/h4-11H,3,12H2,1-2H3,(H,21,23)(H,24,25)/b17-10+