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

Systemtic Name: (E)-3-[2-(3-azanyl-3-oxidanylidene-propoxy)-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(3-amino-3-oxo-propoxy)-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(3-amino-3-oxopropoxy)-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3-amino-3-oxopropoxy)-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3-amino-3-keto-propoxy)-5-methoxy-phenyl]acrylic acid Formula: C13H15NO5 MolecularWeight: 265.2619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCCC(=O)N)C=CC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OCCC(=O)N)/C=C/C(=O)O

InChI

InChI=1S/C13H15NO5/c1-18-10-3-4-11(19-7-6-12(14)15)9(8-10)2-5-13(16)17/h2-5,8H,6-7H2,1H3,(H2,14,15)(H,16,17)/b5-2+