2-isocyanato-3-[4-(4-oxidanylphenoxy)phenyl]propanoic acid

Systemtic Name: 2-isocyanato-3-[4-(4-oxidanylphenoxy)phenyl]propanoic acid Openeye Name: 3-[4-(4-hydroxyphenoxy)phenyl]-2-isocyanato-propanoic acid CAS Name: 3-[4-(4-hydroxyphenoxy)phenyl]-2-isocyanatopropanoic acid IUPAC Name: 3-[4-(4-hydroxyphenoxy)phenyl]-2-isocyanatopropanoic acid Traditional Name: 3-[4-(4-hydroxyphenoxy)phenyl]-2-isocyanato-propionic acid Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N=C=O)OC2=CC=C(C=C2)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N=C=O)OC2=CC=C(C=C2)O

InChI

InChI=1S/C16H13NO5/c18-10-17-15(16(20)21)9-11-1-5-13(6-2-11)22-14-7-3-12(19)4-8-14/h1-8,15,19H,9H2,(H,20,21)