(E)-3-[4-(1-azanyl-1-oxidanylidene-propan-2-yl)oxy-3-bromanyl-5-ethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(1-azanyl-1-oxidanylidene-propan-2-yl)oxy-3-bromanyl-5-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(2-amino-1-methyl-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1-amino-1-oxopropan-2-yl)oxy-3-bromo-5-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(1-amino-1-oxopropan-2-yl)oxy-3-bromo-5-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-amino-2-keto-1-methyl-ethoxy)-3-bromo-5-ethoxy-phenyl]acrylic acid Formula: C14H16BrNO5 MolecularWeight: 358.18454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)O)Br)OC(C)C(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OC(C)C(=O)N

InChI

InChI=1S/C14H16BrNO5/c1-3-20-11-7-9(4-5-12(17)18)6-10(15)13(11)21-8(2)14(16)19/h4-8H,3H2,1-2H3,(H2,16,19)(H,17,18)/b5-4+