methyl 2-isocyanato-3-propyl-benzoate

Systemtic Name: methyl 2-isocyanato-3-propyl-benzoate Openeye Name: methyl 2-isocyanato-3-propyl-benzoate CAS Name: 2-isocyanato-3-propylbenzoic acid methyl ester IUPAC Name: methyl 2-isocyanato-3-propylbenzoate Traditional Name: 2-isocyanato-3-propyl-benzoic acid methyl ester Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1N=C=O)C(=O)OC

Isomeric SMILES

CCCC1=CC=CC(=C1N=C=O)C(=O)OC

InChI

InChI=1S/C12H13NO3/c1-3-5-9-6-4-7-10(12(15)16-2)11(9)13-8-14/h4,6-7H,3,5H2,1-2H3