(E)-2-benzamido-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)acrylic acid Formula: C18H16BrNO5 MolecularWeight: 406.22734

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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)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)Br)O

InChI

InChI=1S/C18H16BrNO5/c1-2-25-15-10-11(8-13(19)16(15)21)9-14(18(23)24)20-17(22)12-6-4-3-5-7-12/h3-10,21H,2H2,1H3,(H,20,22)(H,23,24)/b14-9+