methyl 5-isocyanato-2-oxidanyl-benzoate

Systemtic Name: methyl 5-isocyanato-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-isocyanato-benzoate CAS Name: 2-hydroxy-5-isocyanatobenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-isocyanatobenzoate Traditional Name: 2-hydroxy-5-isocyanato-benzoic acid methyl ester Formula: C9H7NO4 MolecularWeight: 193.15618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO4/c1-14-9(13)7-4-6(10-5-11)2-3-8(7)12/h2-4,12H,1H3