methyl 3-isocyanatobenzoate

Systemtic Name: methyl 3-isocyanatobenzoate Openeye Name: methyl 3-isocyanatobenzoate CAS Name: 3-isocyanatobenzoic acid methyl ester IUPAC Name: methyl 3-isocyanatobenzoate Traditional Name: 3-isocyanatobenzoic acid methyl ester Formula: C9H7NO3 MolecularWeight: 177.15678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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