methyl 2-isocyanatobenzoate

Systemtic Name: methyl 2-isocyanatobenzoate Openeye Name: methyl 2-isocyanatobenzoate CAS Name: 2-isocyanatobenzoic acid methyl ester IUPAC Name: methyl 2-isocyanatobenzoate Traditional Name: 2-isocyanatobenzoic acid methyl ester Formula: C9H7NO3 MolecularWeight: 177.15678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N=C=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1N=C=O

InChI

InChI=1S/C9H7NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-5H,1H3