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

Systemtic Name: (E)-2-benzamido-3-[3-bromanyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-(4-nitrobenzyl)oxy-phenyl]acrylic acid Formula: C25H21BrN2O7 MolecularWeight: 541.34744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H21BrN2O7/c1-2-34-22-14-17(13-21(25(30)31)27-24(29)18-6-4-3-5-7-18)12-20(26)23(22)35-15-16-8-10-19(11-9-16)28(32)33/h3-14H,2,15H2,1H3,(H,27,29)(H,30,31)/b21-13+