3-(3-ethoxyphenyl)-2-isocyanato-propanoic acid

Systemtic Name: 3-(3-ethoxyphenyl)-2-isocyanato-propanoic acid Openeye Name: 3-(3-ethoxyphenyl)-2-isocyanato-propanoic acid CAS Name: 3-(3-ethoxyphenyl)-2-isocyanatopropanoic acid IUPAC Name: 3-(3-ethoxyphenyl)-2-isocyanatopropanoic acid Traditional Name: 2-isocyanato-3-m-phenetyl-propionic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-2-17-10-5-3-4-9(6-10)7-11(12(15)16)13-8-14/h3-6,11H,2,7H2,1H3,(H,15,16)