ethyl 5-isocyanato-2-oxidanyl-benzoate

Systemtic Name: ethyl 5-isocyanato-2-oxidanyl-benzoate Openeye Name: ethyl 2-hydroxy-5-isocyanato-benzoate CAS Name: 2-hydroxy-5-isocyanatobenzoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-5-isocyanatobenzoate Traditional Name: 2-hydroxy-5-isocyanato-benzoic acid ethyl ester Formula: C10H9NO4 MolecularWeight: 207.18276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO4/c1-2-15-10(14)8-5-7(11-6-12)3-4-9(8)13/h3-5,13H,2H2,1H3