(E)-2-acetamido-3-[3-bromanyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[3-bromanyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-bromo-5-ethoxy-4-(4-nitrobenzyl)oxy-phenyl]acrylic acid Formula: C20H19BrN2O7 MolecularWeight: 479.27806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O7/c1-3-29-18-10-14(9-17(20(25)26)22-12(2)24)8-16(21)19(18)30-11-13-4-6-15(7-5-13)23(27)28/h4-10H,3,11H2,1-2H3,(H,22,24)(H,25,26)/b17-9+