(E)-3-[5-bromanyl-2-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]oxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-bromanyl-2-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]oxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-2-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-2-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-bromo-2-[2-keto-1-methyl-2-(propargylamino)ethoxy]phenyl]acrylic acid Formula: C15H14BrNO4 MolecularWeight: 352.17996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)OC1=C(C=C(C=C1)Br)C=CC(=O)O

Isomeric SMILES

CC(C(=O)NCC#C)OC1=C(C=C(C=C1)Br)/C=C/C(=O)O

InChI

InChI=1S/C15H14BrNO4/c1-3-8-17-15(20)10(2)21-13-6-5-12(16)9-11(13)4-7-14(18)19/h1,4-7,9-10H,8H2,2H3,(H,17,20)(H,18,19)/b7-4+