(E)-3-[4-(3-azanyl-3-oxidanylidene-propoxy)-3-bromanyl-5-ethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-azanyl-3-oxidanylidene-propoxy)-3-bromanyl-5-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-amino-3-oxo-propoxy)-3-bromo-5-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3-amino-3-oxopropoxy)-3-bromo-5-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-amino-3-oxopropoxy)-3-bromo-5-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-amino-3-keto-propoxy)-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)OCCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO5/c1-2-20-11-8-9(3-4-13(18)19)7-10(15)14(11)21-6-5-12(16)17/h3-4,7-8H,2,5-6H2,1H3,(H2,16,17)(H,18,19)/b4-3+